Isocyanates

Organic compounds that contain a nitrogen atom bonded to a carbon atom that is bonded to an oxygen atom, both bonds are double bonds, in the following structure: R-N=C=O, where R is any carbon chain or group.

1 – 15 of 234 results

Phenyl Isocyanate, MP Biomedicals

CAS: 103-71-9 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 InChI Key: DGTNSSLYPYDJGL-UHFFFAOYSA-N Synonym: phenyl isocyanate,phenylcarbimide,carbanil,phenyl carbonimide,benzene, isocyanato,phenylisocyanate,isocyanic acid, phenyl ester,mondur p,phnco,fenylisokyanat PubChem CID: 7672 ChEBI: CHEBI:53806 IUPAC Name: isocyanatobenzene SMILES: C1=CC=C(C=C1)N=C=O

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Specifications

PubChem CID	7672
CAS	103-71-9
Molecular Weight (g/mol)	119.123
ChEBI	CHEBI:53806
SMILES	C1=CC=C(C=C1)N=C=O
Synonym	phenyl isocyanate,phenylcarbimide,carbanil,phenyl carbonimide,benzene, isocyanato,phenylisocyanate,isocyanic acid, phenyl ester,mondur p,phnco,fenylisokyanat
IUPAC Name	isocyanatobenzene
InChI Key	DGTNSSLYPYDJGL-UHFFFAOYSA-N
Molecular Formula	C7H5NO

Hexyl isocyanate, 99%, Thermo Scientific Chemicals

CAS: 2525-62-4 Molecular Formula: C7H13NO Molecular Weight (g/mol): 127.19 MDL Number: MFCD00037047 InChI Key: ANJPRQPHZGHVQB-UHFFFAOYSA-N Synonym: hexyl isocyanate,hexane, 1-isocyanato,1-hexyl isocyanate,hexylmonoisocyanate,hexyl monoisocyanate,hexylisocyanate,n-hexyl isocyanate,hexanisocyanate,isocyanatohexane,isocyanato-hexane PubChem CID: 75659 ChEBI: CHEBI:59058 IUPAC Name: 1-isocyanatohexane SMILES: CCCCCCN=C=O

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Specifications

PubChem CID	75659
CAS	2525-62-4
Molecular Weight (g/mol)	127.19
ChEBI	CHEBI:59058
MDL Number	MFCD00037047
SMILES	CCCCCCN=C=O
Synonym	hexyl isocyanate,hexane, 1-isocyanato,1-hexyl isocyanate,hexylmonoisocyanate,hexyl monoisocyanate,hexylisocyanate,n-hexyl isocyanate,hexanisocyanate,isocyanatohexane,isocyanato-hexane
IUPAC Name	1-isocyanatohexane
InChI Key	ANJPRQPHZGHVQB-UHFFFAOYSA-N
Molecular Formula	C7H13NO

3-Isocyanato-5-methyl-2-phenylfuran, 97%, Thermo Scientific™

CAS: 898289-18-4 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.209 MDL Number: MFCD09025851 InChI Key: GDLFJANXKGIZKA-UHFFFAOYSA-N Synonym: 5-methyl-2-phenylfuran-3-isocyanate,furan,3-isocyanato-5-methyl-2-phenyl PubChem CID: 18525836 IUPAC Name: 3-isocyanato-5-methyl-2-phenylfuran SMILES: CC1=CC(=C(O1)C2=CC=CC=C2)N=C=O

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Specifications

PubChem CID	18525836
CAS	898289-18-4
Molecular Weight (g/mol)	199.209
MDL Number	MFCD09025851
SMILES	CC1=CC(=C(O1)C2=CC=CC=C2)N=C=O
Synonym	5-methyl-2-phenylfuran-3-isocyanate,furan,3-isocyanato-5-methyl-2-phenyl
IUPAC Name	3-isocyanato-5-methyl-2-phenylfuran
InChI Key	GDLFJANXKGIZKA-UHFFFAOYSA-N
Molecular Formula	C12H9NO2

4-Biphenyl isocyanate, 97%, Thermo Scientific Chemicals

CAS: 92-95-5 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.22 MDL Number: MFCD00037089 InChI Key: WIRPZDICFIIBRF-UHFFFAOYSA-N Synonym: 4-biphenylyl isocyanate,p-xenylcarbimide,4-biphenyl isocyanate,4-isocyanatobiphenyl,4-phenylphenyl isocyanate,unii-b0zsp4upq4,4-biphenylylisocyanate,b0zsp4upq4,p-diphenyl isocyanate,p-xenylcarbimide mi PubChem CID: 3612319 IUPAC Name: 1-isocyanato-4-phenylbenzene SMILES: O=C=NC1=CC=C(C=C1)C1=CC=CC=C1

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Specifications

PubChem CID	3612319
CAS	92-95-5
Molecular Weight (g/mol)	195.22
MDL Number	MFCD00037089
SMILES	O=C=NC1=CC=C(C=C1)C1=CC=CC=C1
Synonym	4-biphenylyl isocyanate,p-xenylcarbimide,4-biphenyl isocyanate,4-isocyanatobiphenyl,4-phenylphenyl isocyanate,unii-b0zsp4upq4,4-biphenylylisocyanate,b0zsp4upq4,p-diphenyl isocyanate,p-xenylcarbimide mi
IUPAC Name	1-isocyanato-4-phenylbenzene
InChI Key	WIRPZDICFIIBRF-UHFFFAOYSA-N
Molecular Formula	C13H9NO

4,4'-Diisocyanato-3,3'-dimethylbiphenyl 98.0+%, TCI America™

CAS: 91-97-4 Molecular Formula: C16H12N2O2 Molecular Weight (g/mol): 264.284 MDL Number: MFCD00019908 InChI Key: ICLCCFKUSALICQ-UHFFFAOYSA-N PubChem CID: 7072 IUPAC Name: 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O

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Specifications

PubChem CID	7072
CAS	91-97-4
Molecular Weight (g/mol)	264.284
MDL Number	MFCD00019908
SMILES	CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O
IUPAC Name	1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
InChI Key	ICLCCFKUSALICQ-UHFFFAOYSA-N
Molecular Formula	C16H12N2O2

2,4,6-Trimethylphenyl isocyanate, 98%, Thermo Scientific Chemicals

CAS: 2958-62-5 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00019909 InChI Key: HJHZRZFONUPQAA-UHFFFAOYSA-N Synonym: 2,4,6-trimethylphenyl isocyanate,mesityl isocyanate,2,4,6-trimethylphenylisocyanate,acmc-1ckns,2,4,6-trimethylbenzenisocyanate,2-isocyanato-1,3,5-trimethyl-benzene,# PubChem CID: 595239 IUPAC Name: 2-isocyanato-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)N=C=O)C

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Specifications

PubChem CID	595239
CAS	2958-62-5
Molecular Weight (g/mol)	161.204
MDL Number	MFCD00019909
SMILES	CC1=CC(=C(C(=C1)C)N=C=O)C
Synonym	2,4,6-trimethylphenyl isocyanate,mesityl isocyanate,2,4,6-trimethylphenylisocyanate,acmc-1ckns,2,4,6-trimethylbenzenisocyanate,2-isocyanato-1,3,5-trimethyl-benzene,#
IUPAC Name	2-isocyanato-1,3,5-trimethylbenzene
InChI Key	HJHZRZFONUPQAA-UHFFFAOYSA-N
Molecular Formula	C10H11NO

4-Nitrophenyl isocyanate, 98%, Thermo Scientific Chemicals

CAS: 100-28-7 Molecular Formula: C₇H₄N₂O₃ Molecular Weight (g/mol): 164.12 InChI Key: GFNKTLQTQSALEJ-UHFFFAOYSA-N Synonym: 4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate PubChem CID: 66012 IUPAC Name: 1-isocyanato-4-nitrobenzene SMILES: C1=CC(=CC=C1N=C=O)[N+](=O)[O-]

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Specifications

PubChem CID	66012
CAS	100-28-7
Molecular Weight (g/mol)	164.12
SMILES	C1=CC(=CC=C1N=C=O)[N+](=O)[O-]
Synonym	4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate
IUPAC Name	1-isocyanato-4-nitrobenzene
InChI Key	GFNKTLQTQSALEJ-UHFFFAOYSA-N
Molecular Formula	C₇H₄N₂O₃

Benzyl Isocyanate 99.0+%, TCI America™

CAS: 3173-56-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00009701 InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N Synonym: benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate PubChem CID: 76639 IUPAC Name: (isocyanatomethyl)benzene SMILES: O=C=NCC1=CC=CC=C1

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Specifications

PubChem CID	76639
CAS	3173-56-6
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00009701
SMILES	O=C=NCC1=CC=CC=C1
Synonym	benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate
IUPAC Name	(isocyanatomethyl)benzene
InChI Key	YDNLNVZZTACNJX-UHFFFAOYSA-N
Molecular Formula	C8H7NO

2-Biphenyl Isocyanate 98.0+%, TCI America™

CAS: 17337-13-2 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.22 MDL Number: MFCD00037087 InChI Key: IHHUGFJSEJSCGE-UHFFFAOYSA-N Synonym: 2-biphenylyl isocyanate,2-biphenylisocyanate,2-biphenyl isocyanate,2-isocyanatobiphenyl,2-isocyanato-biphenyl,2-biphenylylisocyanate,isocyanic acid 2-biphenyl ester,1,1'-biphenyl, isocyanato,1-isocyanato-2-phenyl-menzene,1,1-biphenyl-2-yl isocyanate PubChem CID: 222280 IUPAC Name: 2-isocyanato-1,1'-biphenyl SMILES: O=C=NC1=CC=CC=C1C1=CC=CC=C1

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Specifications

PubChem CID	222280
CAS	17337-13-2
Molecular Weight (g/mol)	195.22
MDL Number	MFCD00037087
SMILES	O=C=NC1=CC=CC=C1C1=CC=CC=C1
Synonym	2-biphenylyl isocyanate,2-biphenylisocyanate,2-biphenyl isocyanate,2-isocyanatobiphenyl,2-isocyanato-biphenyl,2-biphenylylisocyanate,isocyanic acid 2-biphenyl ester,1,1'-biphenyl, isocyanato,1-isocyanato-2-phenyl-menzene,1,1-biphenyl-2-yl isocyanate
IUPAC Name	2-isocyanato-1,1'-biphenyl
InChI Key	IHHUGFJSEJSCGE-UHFFFAOYSA-N
Molecular Formula	C13H9NO

1,6-Diisocyanatohexane, 99+%, Thermo Scientific Chemicals

CAS: 822-06-0 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.20 MDL Number: MFCD00002047 InChI Key: RRAMGCGOFNQTLD-UHFFFAOYSA-N Synonym: hexamethylene diisocyanate,1,6-hexamethylene diisocyanate,hmdi,hexane, 1,6-diisocyanato,hexane 1,6-diisocyanate,1,6-hexylene diisocyanate,hexamethylene-1,6-diisocyanate,1,6-hexanediol diisocyanate,hdi,isocyanic acid, hexamethylene ester PubChem CID: 13192 ChEBI: CHEBI:53578 IUPAC Name: 1,6-diisocyanatohexane SMILES: O=C=NCCCCCCN=C=O

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Specifications

PubChem CID	13192
CAS	822-06-0
Molecular Weight (g/mol)	168.20
ChEBI	CHEBI:53578
MDL Number	MFCD00002047
SMILES	O=C=NCCCCCCN=C=O
Synonym	hexamethylene diisocyanate,1,6-hexamethylene diisocyanate,hmdi,hexane, 1,6-diisocyanato,hexane 1,6-diisocyanate,1,6-hexylene diisocyanate,hexamethylene-1,6-diisocyanate,1,6-hexanediol diisocyanate,hdi,isocyanic acid, hexamethylene ester
IUPAC Name	1,6-diisocyanatohexane
InChI Key	RRAMGCGOFNQTLD-UHFFFAOYSA-N
Molecular Formula	C8H12N2O2

Hexamethylene Diisocyanate 98.0+%, TCI America™

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Specifications

PubChem CID	13192
CAS	822-06-0
Molecular Weight (g/mol)	168.20
ChEBI	CHEBI:53578
MDL Number	MFCD00002047
SMILES	O=C=NCCCCCCN=C=O
Synonym	hexamethylene diisocyanate,1,6-hexamethylene diisocyanate,hmdi,hexane, 1,6-diisocyanato,hexane 1,6-diisocyanate,1,6-hexylene diisocyanate,hexamethylene-1,6-diisocyanate,1,6-hexanediol diisocyanate,hdi,isocyanic acid, hexamethylene ester
IUPAC Name	1,6-diisocyanatohexane
InChI Key	RRAMGCGOFNQTLD-UHFFFAOYSA-N
Molecular Formula	C8H12N2O2

Isophorone diisocyanate, 98%, Thermo Scientific Chemicals

CAS: 4098-71-9 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.29 MDL Number: MFCD00064956 InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYNA-N Synonym: isophorone diisocyanate,ipdi,isophorone diamine diisocyanate,5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane,3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate,cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl,3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate,ccris 6252,isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester,isophorone diisocyanate diisocyanates PubChem CID: 169132 ChEBI: CHEBI:53214 IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane SMILES: CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O

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Specifications

PubChem CID	169132
CAS	4098-71-9
Molecular Weight (g/mol)	222.29
ChEBI	CHEBI:53214
MDL Number	MFCD00064956
SMILES	CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O
Synonym	isophorone diisocyanate,ipdi,isophorone diamine diisocyanate,5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane,3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate,cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl,3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate,ccris 6252,isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester,isophorone diisocyanate diisocyanates
IUPAC Name	5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
InChI Key	NIMLQBUJDJZYEJ-UHFFFAOYNA-N
Molecular Formula	C12H18N2O2

4-Nitrophenyl isocyanate, 97%, Thermo Scientific Chemicals

CAS: 100-28-7 Molecular Formula: C7H4N2O3 Molecular Weight (g/mol): 164.12 MDL Number: MFCD00007306 InChI Key: GFNKTLQTQSALEJ-UHFFFAOYSA-N Synonym: 4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate PubChem CID: 66012 IUPAC Name: 1-isocyanato-4-nitrobenzene SMILES: C1=CC(=CC=C1N=C=O)[N+](=O)[O-]

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Specifications

PubChem CID	66012
CAS	100-28-7
Molecular Weight (g/mol)	164.12
MDL Number	MFCD00007306
SMILES	C1=CC(=CC=C1N=C=O)[N+](=O)[O-]
Synonym	4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate
IUPAC Name	1-isocyanato-4-nitrobenzene
InChI Key	GFNKTLQTQSALEJ-UHFFFAOYSA-N
Molecular Formula	C7H4N2O3

1-Dodecyl isocyanate, 98%, Thermo Scientific Chemicals

CAS: 4202-38-4 Molecular Formula: C13H25NO Molecular Weight (g/mol): 211.349 MDL Number: MFCD00041744 InChI Key: YIDSTEJLDQMWBR-UHFFFAOYSA-N Synonym: dodecyl isocyanate,dodecane, 1-isocyanato,dodecylisocyanate,1-dodecyl isocyanate,n-dodecyl isocyanate,acmc-209jmx,isocyanic acid dodecyl ester PubChem CID: 77873 IUPAC Name: 1-isocyanatododecane SMILES: CCCCCCCCCCCCN=C=O

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Specifications

PubChem CID	77873
CAS	4202-38-4
Molecular Weight (g/mol)	211.349
MDL Number	MFCD00041744
SMILES	CCCCCCCCCCCCN=C=O
Synonym	dodecyl isocyanate,dodecane, 1-isocyanato,dodecylisocyanate,1-dodecyl isocyanate,n-dodecyl isocyanate,acmc-209jmx,isocyanic acid dodecyl ester
IUPAC Name	1-isocyanatododecane
InChI Key	YIDSTEJLDQMWBR-UHFFFAOYSA-N
Molecular Formula	C13H25NO

(S)-(-)-alpha-Methylbenzyl Isocyanate 98.0+%, TCI America™

CAS: 14649-03-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00002036 InChI Key: JJSCUXAFAJEQGB-QMMMGPOBSA-N Synonym: s---1-phenylethyl isocyanate,1s-1-isocyanatoethyl benzene,s---alpha-methylbenzyl isocyanate,benzene, 1s-1-isocyanatoethyl,isocyanic acid s---a-methylbenzyl ester,s-alpha-methylbenzyl isocyanate,s---1-phenylethylisocyanate,isocyanic acid s---alpha-methylbenzyl ester,isocyanic acid s---methylbenzyl ester,1-isocyanatoethyl benzene # PubChem CID: 2724173 IUPAC Name: [(1S)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=CC=C1)N=C=O

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Specifications

PubChem CID	2724173
CAS	14649-03-7
Molecular Weight (g/mol)	147.177
MDL Number	MFCD00002036
SMILES	CC(C1=CC=CC=C1)N=C=O
Synonym	s---1-phenylethyl isocyanate,1s-1-isocyanatoethyl benzene,s---alpha-methylbenzyl isocyanate,benzene, 1s-1-isocyanatoethyl,isocyanic acid s---a-methylbenzyl ester,s-alpha-methylbenzyl isocyanate,s---1-phenylethylisocyanate,isocyanic acid s---alpha-methylbenzyl ester,isocyanic acid s---methylbenzyl ester,1-isocyanatoethyl benzene #
IUPAC Name	[(1S)-1-isocyanatoethyl]benzene
InChI Key	JJSCUXAFAJEQGB-QMMMGPOBSA-N
Molecular Formula	C9H9NO

Isocyanates

Isocyanates

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4,4'-Diisocyanato-3,3'-dimethylbiphenyl 98.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

Benzyl Isocyanate 99.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

2-Biphenyl Isocyanate 98.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

Hexamethylene Diisocyanate 98.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

(S)-(-)-alpha-Methylbenzyl Isocyanate 98.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

4,4'-Diisocyanato-3,3'-dimethylbiphenyl 98.0+%, TCI America™

Benzyl Isocyanate 99.0+%, TCI America™

2-Biphenyl Isocyanate 98.0+%, TCI America™

Hexamethylene Diisocyanate 98.0+%, TCI America™

(S)-(-)-alpha-Methylbenzyl Isocyanate 98.0+%, TCI America™