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Isocyanates

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 109 results
1

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
2

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-]

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

2-Nitrophenyl isocyanate, 99%

CAS: 3320-86-3 Molecular Formula: C7H4N2O3 Molecular Weight (g/mol): 164.12 InChI Key: JRVZITODZAQRQM-UHFFFAOYSA-N Synonym: 2-nitrophenyl isocyanate,o-nitrophenyl isocyanate,benzene, 1-isocyanato-2-nitro,isocyanic acid, o-nitrophenyl ester,2-nitrophenylisocyanate,2-nitrobenzenisocyanate,nitrophenyl isocyanate,2-nitrophenylisocynate,2-nitro phenyl isocyanate,acmc-1cp5k PubChem CID: 76834 IUPAC Name: 1-isocyanato-2-nitrobenzene SMILES: C1=CC=C(C(=C1)N=C=O)[N+](=O)[O-]

PubChem CID 76834
CAS 3320-86-3
Molecular Weight (g/mol) 164.12
SMILES C1=CC=C(C(=C1)N=C=O)[N+](=O)[O-]
Synonym 2-nitrophenyl isocyanate,o-nitrophenyl isocyanate,benzene, 1-isocyanato-2-nitro,isocyanic acid, o-nitrophenyl ester,2-nitrophenylisocyanate,2-nitrobenzenisocyanate,nitrophenyl isocyanate,2-nitrophenylisocynate,2-nitro phenyl isocyanate,acmc-1cp5k
IUPAC Name 1-isocyanato-2-nitrobenzene
InChI Key JRVZITODZAQRQM-UHFFFAOYSA-N
Molecular Formula C7H4N2O3
4

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

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
5

Benzoyl isocyanate, 90%, Tech.

CAS: 4461-33-0 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00002032 InChI Key: LURYMYITPCOQAU-UHFFFAOYSA-N Synonym: benzoylisocyanate,methanone, 1-phenyl-1-isocyanato,oxophenylmethanisocyanate,benzoyl isocynate,phconco,acmc-20alpt,pubchem7575,isocyanato phenyl methanone,isocyanato-phenyl-methanone,9ci PubChem CID: 78210 IUPAC Name: benzoyl isocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=O

PubChem CID 78210
CAS 4461-33-0
Molecular Weight (g/mol) 147.13
MDL Number MFCD00002032
SMILES C1=CC=C(C=C1)C(=O)N=C=O
Synonym benzoylisocyanate,methanone, 1-phenyl-1-isocyanato,oxophenylmethanisocyanate,benzoyl isocynate,phconco,acmc-20alpt,pubchem7575,isocyanato phenyl methanone,isocyanato-phenyl-methanone,9ci
IUPAC Name benzoyl isocyanate
InChI Key LURYMYITPCOQAU-UHFFFAOYSA-N
Molecular Formula C8H5NO2
6

Pentyl isocyanate, 98%

CAS: 3954-13-0 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00144846 InChI Key: VRVUKQWNRPNACD-UHFFFAOYSA-N Synonym: pentyl isocyanate,pentylisocyanate,pentane, 1-isocyanato,1-pentyl isocyanate,n-pentyl isocyanate,1-isocyanato-pentane,amylisocyanat,n-pentylisocyanate,n-amyl isocyanate,acmc-1clhg PubChem CID: 206036 IUPAC Name: 1-isocyanatopentane SMILES: CCCCCN=C=O

PubChem CID 206036
CAS 3954-13-0
Molecular Weight (g/mol) 113.16
MDL Number MFCD00144846
SMILES CCCCCN=C=O
Synonym pentyl isocyanate,pentylisocyanate,pentane, 1-isocyanato,1-pentyl isocyanate,n-pentyl isocyanate,1-isocyanato-pentane,amylisocyanat,n-pentylisocyanate,n-amyl isocyanate,acmc-1clhg
IUPAC Name 1-isocyanatopentane
InChI Key VRVUKQWNRPNACD-UHFFFAOYSA-N
Molecular Formula C6H11NO
7

1,4-Diisocyanatobutane, 97%

CAS: 4538-37-8 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00075559 InChI Key: OVBFMUAFNIIQAL-UHFFFAOYSA-N PubChem CID: 350453 IUPAC Name: 1,4-diisocyanatobutane SMILES: C(CCN=C=O)CN=C=O

PubChem CID 350453
CAS 4538-37-8
Molecular Weight (g/mol) 140.14
MDL Number MFCD00075559
SMILES C(CCN=C=O)CN=C=O
IUPAC Name 1,4-diisocyanatobutane
InChI Key OVBFMUAFNIIQAL-UHFFFAOYSA-N
Molecular Formula C6H8N2O2
8

3-Cyanophenyl isocyanate, 97%

CAS: 16413-26-6 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.13 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) 144.13
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
9

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
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

1-Naphthyl isocyanate, 99%

CAS: 86-84-0 InChI Key: BDQNKCYCTYYMAA-UHFFFAOYSA-N Synonym: 1-naphthyl isocyanate,naphthalene, 1-isocyanato,alpha-naphthyl isocyanate,isocyanatonaphthalene,1-naphthylisocyanate,1-isocyanato-naphthalene,unii-5lh2p0691e,1-isocyanatonapthalene,isocyanic acid 1-naphthyl ester,isocyanic acid, 1-naphthyl ester PubChem CID: 66589 IUPAC Name: 1-isocyanatonaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2N=C=O

PubChem CID 66589
CAS 86-84-0
SMILES C1=CC=C2C(=C1)C=CC=C2N=C=O
Synonym 1-naphthyl isocyanate,naphthalene, 1-isocyanato,alpha-naphthyl isocyanate,isocyanatonaphthalene,1-naphthylisocyanate,1-isocyanato-naphthalene,unii-5lh2p0691e,1-isocyanatonapthalene,isocyanic acid 1-naphthyl ester,isocyanic acid, 1-naphthyl ester
IUPAC Name 1-isocyanatonaphthalene
InChI Key BDQNKCYCTYYMAA-UHFFFAOYSA-N
12

Octyl isocyanate, 99%

CAS: 3158-26-7 Molecular Formula: C9H17NO Molecular Weight (g/mol): 155.24 MDL Number: MFCD00013887 InChI Key: DYQFCTCUULUMTQ-UHFFFAOYSA-N Synonym: octyl isocyanate,octylisocyanate,octane, 1-isocyanato,n-octylisocyanate,1-octyl isocyanate,n-octyl isocyanate,1-isocyanato-octane,isocyanic acid, octyl ester,octanisocyanate PubChem CID: 76616 IUPAC Name: 1-isocyanatooctane SMILES: CCCCCCCCN=C=O

PubChem CID 76616
CAS 3158-26-7
Molecular Weight (g/mol) 155.24
MDL Number MFCD00013887
SMILES CCCCCCCCN=C=O
Synonym octyl isocyanate,octylisocyanate,octane, 1-isocyanato,n-octylisocyanate,1-octyl isocyanate,n-octyl isocyanate,1-isocyanato-octane,isocyanic acid, octyl ester,octanisocyanate
IUPAC Name 1-isocyanatooctane
InChI Key DYQFCTCUULUMTQ-UHFFFAOYSA-N
Molecular Formula C9H17NO
13

4,4'-Methylenebis(cyclohexyl isocyanate), 90%, mixture of isomers, AcroSeal™

CAS: 5124-30-1 Molecular Formula: C15H22N2O2 Molecular Weight (g/mol): 262.35 MDL Number: MFCD00015405 InChI Key: KORSJDCBLAPZEQ-UHFFFAOYSA-N Synonym: hydrogenated mdi,hylene w,bis 4-isocyanatocyclohexyl methane,4,4'-diisocyanatodicyclohexylmethane,methylene bis 4-cyclohexylisocyanate,dicyclohexylmethane 4,4'-diisocyanate,dicyclohexylmethane-4,4'-diisocyanate,methylene bis-4-cyclohexylisocyanate,nacconate h 12,cyclohexane, 1,1'-methylenebis 4-isocyanato PubChem CID: 21202 ChEBI: CHEBI:53216 IUPAC Name: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane SMILES: O=C=NC1CCC(CC2CCC(CC2)N=C=O)CC1

PubChem CID 21202
CAS 5124-30-1
Molecular Weight (g/mol) 262.35
ChEBI CHEBI:53216
MDL Number MFCD00015405
SMILES O=C=NC1CCC(CC2CCC(CC2)N=C=O)CC1
Synonym hydrogenated mdi,hylene w,bis 4-isocyanatocyclohexyl methane,4,4'-diisocyanatodicyclohexylmethane,methylene bis 4-cyclohexylisocyanate,dicyclohexylmethane 4,4'-diisocyanate,dicyclohexylmethane-4,4'-diisocyanate,methylene bis-4-cyclohexylisocyanate,nacconate h 12,cyclohexane, 1,1'-methylenebis 4-isocyanato
IUPAC Name 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
InChI Key KORSJDCBLAPZEQ-UHFFFAOYSA-N
Molecular Formula C15H22N2O2
14

4-Biphenyl isocyanate, 97%

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

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
15

3-Nitrophenyl isocyanate, 97%

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