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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

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

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-n-Butylphenyl isocyanate, 98%

CAS: 69342-47-8 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00013882 InChI Key: LJJRXPXDTAUVQU-UHFFFAOYSA-N Synonym: 4-butylphenyl isocyanate,4-n-butylphenyl isocyanate,benzene, 1-butyl-4-isocyanato,benzene,1-butyl-4-isocyanato,4-butylbenzenisocyanate,4-butylphenylisocyanate,acmc-209o7f,1-butyl-4-isocyanato-benzene,4-n-butyl phenyl isocyanate PubChem CID: 2796313 IUPAC Name: 1-butyl-4-isocyanatobenzene SMILES: CCCCC1=CC=C(C=C1)N=C=O

PubChem CID 2796313
CAS 69342-47-8
Molecular Weight (g/mol) 175.231
MDL Number MFCD00013882
SMILES CCCCC1=CC=C(C=C1)N=C=O
Synonym 4-butylphenyl isocyanate,4-n-butylphenyl isocyanate,benzene, 1-butyl-4-isocyanato,benzene,1-butyl-4-isocyanato,4-butylbenzenisocyanate,4-butylphenylisocyanate,acmc-209o7f,1-butyl-4-isocyanato-benzene,4-n-butyl phenyl isocyanate
IUPAC Name 1-butyl-4-isocyanatobenzene
InChI Key LJJRXPXDTAUVQU-UHFFFAOYSA-N
Molecular Formula C11H13NO
3

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

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
4

(R)-(+)-1-Phenylethyl isocyanate, 99%

CAS: 33375-06-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00063015 InChI Key: JJSCUXAFAJEQGB-MRVPVSSYSA-N Synonym: r-+-1-phenylethyl isocyanate,1r-1-isocyanatoethyl benzene,r-+-alpha-methylbenzyl isocyanate,benzene, 1r-1-isocyanatoethyl,isocyanic acid r-+-1-phenylethyl ester,isocyanic acid r-+-alpha-methylbenzyl ester,isocyanic acid-r-+-methylbenzyl ester,1-isocyanatoethyl benzene #,+-alpha-methylbenzyl isocyanate,pubchem8096 PubChem CID: 7018262 IUPAC Name: [(1R)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=CC=C1)N=C=O

PubChem CID 7018262
CAS 33375-06-3
Molecular Weight (g/mol) 147.177
MDL Number MFCD00063015
SMILES CC(C1=CC=CC=C1)N=C=O
Synonym r-+-1-phenylethyl isocyanate,1r-1-isocyanatoethyl benzene,r-+-alpha-methylbenzyl isocyanate,benzene, 1r-1-isocyanatoethyl,isocyanic acid r-+-1-phenylethyl ester,isocyanic acid r-+-alpha-methylbenzyl ester,isocyanic acid-r-+-methylbenzyl ester,1-isocyanatoethyl benzene #,+-alpha-methylbenzyl isocyanate,pubchem8096
IUPAC Name [(1R)-1-isocyanatoethyl]benzene
InChI Key JJSCUXAFAJEQGB-MRVPVSSYSA-N
Molecular Formula C9H9NO
5

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

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
6

(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

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
7

p-Tolyl isocyanate, 99%

CAS: 622-58-2 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 InChI Key: MGYGFNQQGAQEON-UHFFFAOYSA-N Synonym: p-tolyl isocyanate,4-tolyl isocyanate,4-methylphenyl isocyanate,p-isocyanatotoluene,4-isocyanatotoluene,p-toluene isocyanate,p-methylphenyl isocyanate,benzene, 1-isocyanato-4-methyl,p-tolylisocyanate,1-isocyanato-4-methyl-benzene PubChem CID: 69325 ChEBI: CHEBI:53732 IUPAC Name: 1-isocyanato-4-methylbenzene SMILES: CC1=CC=C(C=C1)N=C=O

PubChem CID 69325
CAS 622-58-2
Molecular Weight (g/mol) 133.15
ChEBI CHEBI:53732
SMILES CC1=CC=C(C=C1)N=C=O
Synonym p-tolyl isocyanate,4-tolyl isocyanate,4-methylphenyl isocyanate,p-isocyanatotoluene,4-isocyanatotoluene,p-toluene isocyanate,p-methylphenyl isocyanate,benzene, 1-isocyanato-4-methyl,p-tolylisocyanate,1-isocyanato-4-methyl-benzene
IUPAC Name 1-isocyanato-4-methylbenzene
InChI Key MGYGFNQQGAQEON-UHFFFAOYSA-N
Molecular Formula C8H7NO
8

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

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
9

4-Methoxybenzyl isocyanate, 99%

CAS: 56651-60-6 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00673064 InChI Key: QRBHVARIMDDOOV-UHFFFAOYSA-N Synonym: 4-methoxybenzyl isocyanate,1-isocyanatomethyl-4-methoxybenzene,p-methoxybenzyl isocyanate,4-methoxybenzylisocyanate,isocyanic acid, p-methoxybenzyl,benzene, 1-isocyanatomethyl-4-methoxy,4-methoxyphenyl methanisocyanate,acmc-20amf5,p-methoxybenzylisocyanate,p-metoxybenzyl-isocyanate PubChem CID: 187910 IUPAC Name: 1-(isocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(CN=C=O)C=C1

PubChem CID 187910
CAS 56651-60-6
Molecular Weight (g/mol) 163.18
MDL Number MFCD00673064
SMILES COC1=CC=C(CN=C=O)C=C1
Synonym 4-methoxybenzyl isocyanate,1-isocyanatomethyl-4-methoxybenzene,p-methoxybenzyl isocyanate,4-methoxybenzylisocyanate,isocyanic acid, p-methoxybenzyl,benzene, 1-isocyanatomethyl-4-methoxy,4-methoxyphenyl methanisocyanate,acmc-20amf5,p-methoxybenzylisocyanate,p-metoxybenzyl-isocyanate
IUPAC Name 1-(isocyanatomethyl)-4-methoxybenzene
InChI Key QRBHVARIMDDOOV-UHFFFAOYSA-N
Molecular Formula C9H9NO2
10

3-Nitrophenyl isocyanate, 97%, Thermo Scientific Chemicals

CAS: 3320-87-4 Molecular Formula: C7H4N2O3 Molecular Weight (g/mol): 164.12 MDL Number: MFCD00007220 InChI Key: GFFGYTMCNVMFAJ-UHFFFAOYSA-N Synonym: 3-nitrophenyl isocyanate,m-nitrophenyl isocyanate,benzene, 1-isocyanato-3-nitro,3-nitrophenylisocyanate,isocyanic acid, m-nitrophenyl ester,3-nitrobenzenisocyanate,m-nitrophenylisocyanate,3-nitropheny isocyanate,pubchem15729,acmc-1ckin PubChem CID: 76835 IUPAC Name: 1-isocyanato-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(=C1)N=C=O

PubChem CID 76835
CAS 3320-87-4
Molecular Weight (g/mol) 164.12
MDL Number MFCD00007220
SMILES [O-][N+](=O)C1=CC=CC(=C1)N=C=O
Synonym 3-nitrophenyl isocyanate,m-nitrophenyl isocyanate,benzene, 1-isocyanato-3-nitro,3-nitrophenylisocyanate,isocyanic acid, m-nitrophenyl ester,3-nitrobenzenisocyanate,m-nitrophenylisocyanate,3-nitropheny isocyanate,pubchem15729,acmc-1ckin
IUPAC Name 1-isocyanato-3-nitrobenzene
InChI Key GFFGYTMCNVMFAJ-UHFFFAOYSA-N
Molecular Formula C7H4N2O3
11

Hexyl isocyanate, 99%

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

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
12

2-Isocyanatobenzonitrile, 97%, Thermo Scientific™

CAS: 42066-86-4 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.133 InChI Key: FQLNVWAFXQUXGW-UHFFFAOYSA-N PubChem CID: 2735873 IUPAC Name: 2-isocyanatobenzonitrile SMILES: C1=CC=C(C(=C1)C#N)N=C=O

PubChem CID 2735873
CAS 42066-86-4
Molecular Weight (g/mol) 144.133
SMILES C1=CC=C(C(=C1)C#N)N=C=O
IUPAC Name 2-isocyanatobenzonitrile
InChI Key FQLNVWAFXQUXGW-UHFFFAOYSA-N
Molecular Formula C8H4N2O
13

3-Cyanophenyl isocyanate, 97%

CAS: 16413-26-6 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.133 MDL Number: MFCD00013856 InChI Key: NZHPVPMRNASEQK-UHFFFAOYSA-N Synonym: 3-cyanophenyl isocyanate,3-cyanophenylisocyanate,benzonitrile, 3-isocyanato,3-isocyanatobenzenecarbonitrile,m-cyanophenyl isocyanate,m-cyanophenylisocyanate,pubchem5028,3-isocyanato-benzonitrile,acmc-1c7a7,paragos 331038 PubChem CID: 2733315 IUPAC Name: 3-isocyanatobenzonitrile SMILES: C1=CC(=CC(=C1)N=C=O)C#N

PubChem CID 2733315
CAS 16413-26-6
Molecular Weight (g/mol) 144.133
MDL Number MFCD00013856
SMILES C1=CC(=CC(=C1)N=C=O)C#N
Synonym 3-cyanophenyl isocyanate,3-cyanophenylisocyanate,benzonitrile, 3-isocyanato,3-isocyanatobenzenecarbonitrile,m-cyanophenyl isocyanate,m-cyanophenylisocyanate,pubchem5028,3-isocyanato-benzonitrile,acmc-1c7a7,paragos 331038
IUPAC Name 3-isocyanatobenzonitrile
InChI Key NZHPVPMRNASEQK-UHFFFAOYSA-N
Molecular Formula C8H4N2O
14

4-Ethylphenyl isocyanate, 98%

CAS: 23138-50-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00013881 InChI Key: FWPYUSLQCQDLJR-UHFFFAOYSA-N PubChem CID: 90007 IUPAC Name: 1-ethyl-4-isocyanatobenzene SMILES: CCC1=CC=C(C=C1)N=C=O

PubChem CID 90007
CAS 23138-50-3
Molecular Weight (g/mol) 147.177
MDL Number MFCD00013881
SMILES CCC1=CC=C(C=C1)N=C=O
IUPAC Name 1-ethyl-4-isocyanatobenzene
InChI Key FWPYUSLQCQDLJR-UHFFFAOYSA-N
Molecular Formula C9H9NO
15

4-Nitrophenyl isocyanate, 97%

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-]

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