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.

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1 – 15 of 114 results

1,6-Diisocyanatohexane, 99+%

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

Pricing and Availability
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, mixture of isomers, 98%

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

Pricing and Availability
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

1-Adamantyl isocyanate, 98%

CAS: 4411-25-0 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.25 MDL Number: MFCD00134405 InChI Key: VBHCPGFCIQDXGZ-UHFFFAOYSA-N Synonym: 1-adamantyl isocyanate,1-isocyanato-adamantane,1-isocyantoadamantane,1-adamantylisocyanate,adamantanisocyanate,adamantyl isocyanate,pubchem8848,1-adamantyl-isocyanate,1-adamantanyl isocyanate,adamantane, 1-isocyanato PubChem CID: 2059995 IUPAC Name: 1-isocyanatoadamantane SMILES: O=C=NC12CC3CC(CC(C3)C1)C2

Pricing and Availability
Specifications

PubChem CID	2059995
CAS	4411-25-0
Molecular Weight (g/mol)	177.25
MDL Number	MFCD00134405
SMILES	O=C=NC12CC3CC(CC(C3)C1)C2
Synonym	1-adamantyl isocyanate,1-isocyanato-adamantane,1-isocyantoadamantane,1-adamantylisocyanate,adamantanisocyanate,adamantyl isocyanate,pubchem8848,1-adamantyl-isocyanate,1-adamantanyl isocyanate,adamantane, 1-isocyanato
IUPAC Name	1-isocyanatoadamantane
InChI Key	VBHCPGFCIQDXGZ-UHFFFAOYSA-N
Molecular Formula	C11H15NO

2-Chloroethyl isocyanate, 98%

CAS: 1943-83-5 Molecular Formula: C₃H₄ClNO Molecular Weight (g/mol): 105.52 MDL Number: MFCD00002043 InChI Key: BCMYXYHEMGPZJN-UHFFFAOYSA-N Synonym: 2-chloroethyl isocyanate,2-chloroethylisocyanate,chloroethylisocyanate,ethane, 1-chloro-2-isocyanato,2-chlorethylisokyanat,2-chloro ethyl isocyanate,isocyanic acid, 2-chloroethyl ester,1-chloro-2-isocyanato-ethane,2-chlorethylisokyanat czech,.beta.-chloroethylisocyanate PubChem CID: 16035 IUPAC Name: 1-chloro-2-isocyanatoethane SMILES: C(CCl)N=C=O

Pricing and Availability
Specifications

PubChem CID	16035
CAS	1943-83-5
Molecular Weight (g/mol)	105.52
MDL Number	MFCD00002043
SMILES	C(CCl)N=C=O
Synonym	2-chloroethyl isocyanate,2-chloroethylisocyanate,chloroethylisocyanate,ethane, 1-chloro-2-isocyanato,2-chlorethylisokyanat,2-chloro ethyl isocyanate,isocyanic acid, 2-chloroethyl ester,1-chloro-2-isocyanato-ethane,2-chlorethylisokyanat czech,.beta.-chloroethylisocyanate
IUPAC Name	1-chloro-2-isocyanatoethane
InChI Key	BCMYXYHEMGPZJN-UHFFFAOYSA-N
Molecular Formula	C₃H₄ClNO

Isophorone diisocyanate, 98+%, mixture of isomers

Pricing and Availability
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

(S)-(-)-alpha-Methylbenzyl isocyanate, 98%

CAS: 14649-03-7 Molecular Formula: C₉H₉NO Molecular Weight (g/mol): 147.18 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

Pricing and Availability
Specifications

PubChem CID	2724173
CAS	14649-03-7
Molecular Weight (g/mol)	147.18
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

Boiling Point	60°C to 61°C
Percent Purity	98%
Physical Form	Liquid

4-Nitrophenyl isocyanate, 98%

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-]

Pricing and Availability
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

3,4-Dichlorobenzyl isocyanate, 98%

CAS: 19752-09-1 Molecular Formula: C₈H₅Cl₂NO Molecular Weight (g/mol): 202.04 MDL Number: MFCD00673063 InChI Key: WLNAHQZFPSSVTP-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl isocyanate,3,4-dichlorobenzylisocyanate,1,2-dichloro-4-isocyanatomethyl benzene,benzene, 1,2-dichloro-4-isocyanatomethyl,1,2-dichloro-4-isocyanatomethyl-benzene,3,4-dichlorophenyl methanisocyanate,zlchem 123,acmc-20anfi,pubchem2096,3,4-dichloro-benzyl isocyanate PubChem CID: 2733368 IUPAC Name: 1,2-dichloro-4-(isocyanatomethyl)benzene SMILES: C1=CC(=C(C=C1CN=C=O)Cl)Cl

Pricing and Availability
Specifications

PubChem CID	2733368
CAS	19752-09-1
Molecular Weight (g/mol)	202.04
MDL Number	MFCD00673063
SMILES	C1=CC(=C(C=C1CN=C=O)Cl)Cl
Synonym	3,4-dichlorobenzyl isocyanate,3,4-dichlorobenzylisocyanate,1,2-dichloro-4-isocyanatomethyl benzene,benzene, 1,2-dichloro-4-isocyanatomethyl,1,2-dichloro-4-isocyanatomethyl-benzene,3,4-dichlorophenyl methanisocyanate,zlchem 123,acmc-20anfi,pubchem2096,3,4-dichloro-benzyl isocyanate
IUPAC Name	1,2-dichloro-4-(isocyanatomethyl)benzene
InChI Key	WLNAHQZFPSSVTP-UHFFFAOYSA-N
Molecular Formula	C₈H₅Cl₂NO

Ethoxycarbonyl isocyanate, 90%, tech.

CAS: 19617-43-7 Molecular Formula: C₄H₅NO₃ Molecular Weight (g/mol): 115.09 InChI Key: VMVZGGPZNHFGKS-UHFFFAOYSA-N Synonym: ethoxycarbonyl isocyanate,ethyl isocyanatoformate,ethyl carbonisocyanatidate,ethyl n-carbonylcarbamate,ethoxycarbonylisocyanate,carbonisocyanatidic acid, ethyl ester,ethyl isocyanatooate,ethylisocyanatoformate,acmc-20al2o,carbonisocyanatidicacid,ethylester PubChem CID: 300166 IUPAC Name: ethyl N-(oxomethylidene)carbamate SMILES: CCOC(=O)N=C=O

Pricing and Availability
Specifications

PubChem CID	300166
CAS	19617-43-7
Molecular Weight (g/mol)	115.09
SMILES	CCOC(=O)N=C=O
Synonym	ethoxycarbonyl isocyanate,ethyl isocyanatoformate,ethyl carbonisocyanatidate,ethyl n-carbonylcarbamate,ethoxycarbonylisocyanate,carbonisocyanatidic acid, ethyl ester,ethyl isocyanatooate,ethylisocyanatoformate,acmc-20al2o,carbonisocyanatidicacid,ethylester
IUPAC Name	ethyl N-(oxomethylidene)carbamate
InChI Key	VMVZGGPZNHFGKS-UHFFFAOYSA-N
Molecular Formula	C₄H₅NO₃

1,1,3,3-Tetramethylbutyl isocyanate, 98%

CAS: 1611-57-0 Molecular Formula: C9H17NO Molecular Weight (g/mol): 155.24 MDL Number: MFCD00209615 InChI Key: XOHBENIMDRFUIH-UHFFFAOYSA-N PubChem CID: 407498 IUPAC Name: 2-isocyanato-2,4,4-trimethylpentane SMILES: CC(C)(C)CC(C)(C)N=C=O

Pricing and Availability
Specifications

PubChem CID	407498
CAS	1611-57-0
Molecular Weight (g/mol)	155.24
MDL Number	MFCD00209615
SMILES	CC(C)(C)CC(C)(C)N=C=O
IUPAC Name	2-isocyanato-2,4,4-trimethylpentane
InChI Key	XOHBENIMDRFUIH-UHFFFAOYSA-N
Molecular Formula	C9H17NO

2,4,6-Trimethylphenyl isocyanate, 98%

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

Pricing and Availability
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

3,5-Dichlorophenyl isocyanate, 97%

CAS: 34893-92-0 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.007 MDL Number: MFCD00013859 InChI Key: XEFUJGURFLOFAN-UHFFFAOYSA-N Synonym: 3,5-dichlorophenyl isocyanate,3,5-dichlorophenylisocyanate,benzene, 1,3-dichloro-5-isocyanato,3,5-dichlorophenyl isocyantae,1,3-dichloro-5-isocyanato-benzene,3,5-dichlorobenzenisocyanate,3,5dichlorophenyl isocyanate,acmc-1ai47,ksc490c1l,3,5-dichloro-phenylisocyanate PubChem CID: 94460 IUPAC Name: 1,3-dichloro-5-isocyanatobenzene SMILES: C1=C(C=C(C=C1Cl)Cl)N=C=O

Pricing and Availability
Specifications

PubChem CID	94460
CAS	34893-92-0
Molecular Weight (g/mol)	188.007
MDL Number	MFCD00013859
SMILES	C1=C(C=C(C=C1Cl)Cl)N=C=O
Synonym	3,5-dichlorophenyl isocyanate,3,5-dichlorophenylisocyanate,benzene, 1,3-dichloro-5-isocyanato,3,5-dichlorophenyl isocyantae,1,3-dichloro-5-isocyanato-benzene,3,5-dichlorobenzenisocyanate,3,5dichlorophenyl isocyanate,acmc-1ai47,ksc490c1l,3,5-dichloro-phenylisocyanate
IUPAC Name	1,3-dichloro-5-isocyanatobenzene
InChI Key	XEFUJGURFLOFAN-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2NO

2,4-Dimethoxyphenyl isocyanate, 97%

CAS: 84370-87-6 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002005 InChI Key: WRAZHLRMDRTLOZ-UHFFFAOYSA-N Synonym: 2,4-dimethoxyphenyl isocyanate,2,4-dimethoxyphenylisocyanate,benzene, 1-isocyanato-2,4-dimethoxy,2,4-dimethoxybenzenisocyanate,acmc-20aocl,1-isocyanato-2,4-dimethoxy-benzene,#,benzene,1-isocyanato-2,4-dimethoxy,1-isocyanato-2,4-bis methyloxy benzene PubChem CID: 601637 IUPAC Name: 1-isocyanato-2,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)N=C=O)OC

Pricing and Availability
Specifications

PubChem CID	601637
CAS	84370-87-6
Molecular Weight (g/mol)	179.175
MDL Number	MFCD00002005
SMILES	COC1=CC(=C(C=C1)N=C=O)OC
Synonym	2,4-dimethoxyphenyl isocyanate,2,4-dimethoxyphenylisocyanate,benzene, 1-isocyanato-2,4-dimethoxy,2,4-dimethoxybenzenisocyanate,acmc-20aocl,1-isocyanato-2,4-dimethoxy-benzene,#,benzene,1-isocyanato-2,4-dimethoxy,1-isocyanato-2,4-bis methyloxy benzene
IUPAC Name	1-isocyanato-2,4-dimethoxybenzene
InChI Key	WRAZHLRMDRTLOZ-UHFFFAOYSA-N
Molecular Formula	C9H9NO3

Benzyl isocyanate, 99+%

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: isocyanatomethylbenzene SMILES: O=C=NCC1=CC=CC=C1

Pricing and Availability
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	isocyanatomethylbenzene
InChI Key	YDNLNVZZTACNJX-UHFFFAOYSA-N
Molecular Formula	C8H7NO

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