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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 109 results
1

Allyl isocyanate, 96%

CAS: 1476-23-9 Molecular Formula: C4H5NO Molecular Weight (g/mol): 83.09 MDL Number: MFCD00002044 InChI Key: HXBPYFMVGFDZFT-UHFFFAOYSA-N PubChem CID: 15123 IUPAC Name: 3-isocyanatoprop-1-ene SMILES: C=CCN=C=O

PubChem CID 15123
CAS 1476-23-9
Molecular Weight (g/mol) 83.09
MDL Number MFCD00002044
SMILES C=CCN=C=O
IUPAC Name 3-isocyanatoprop-1-ene
InChI Key HXBPYFMVGFDZFT-UHFFFAOYSA-N
Molecular Formula C4H5NO
2

1-Octyl isocyanate, 97%, Thermo Scientific Chemicals

CAS: 3158-26-7 Molecular Formula: C9H17NO Molecular Weight (g/mol): 155.241 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) 155.241
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
3

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
4

Ethyl 3-isocyanatopropionate, 98%

CAS: 5100-34-5 Molecular Formula: C6H9NO3 Molecular Weight (g/mol): 143.14 MDL Number: MFCD00078461 InChI Key: XBSGYVHOINMTIM-UHFFFAOYSA-N Synonym: ethyl 3-isocyanatopropionate,propanoic acid, 3-isocyanato-, ethyl ester,3-isocyanatopropionic acid ethyl ester,ethyl n-oxomethylidene-beta-alaninate,ethyl n-oxomethylene-beta-alaninate,acmc-20akzk,ethyl-3-isocyanatopropionate,ethyl 3-isocyanato-propionate,ethyl 3-isocyanatopropion-ate,ethyl-3-isocyanato-propionate PubChem CID: 2733373 IUPAC Name: ethyl 3-isocyanatopropanoate SMILES: CCOC(=O)CCN=C=O

PubChem CID 2733373
CAS 5100-34-5
Molecular Weight (g/mol) 143.14
MDL Number MFCD00078461
SMILES CCOC(=O)CCN=C=O
Synonym ethyl 3-isocyanatopropionate,propanoic acid, 3-isocyanato-, ethyl ester,3-isocyanatopropionic acid ethyl ester,ethyl n-oxomethylidene-beta-alaninate,ethyl n-oxomethylene-beta-alaninate,acmc-20akzk,ethyl-3-isocyanatopropionate,ethyl 3-isocyanato-propionate,ethyl 3-isocyanatopropion-ate,ethyl-3-isocyanato-propionate
IUPAC Name ethyl 3-isocyanatopropanoate
InChI Key XBSGYVHOINMTIM-UHFFFAOYSA-N
Molecular Formula C6H9NO3
5

m-Tolyl isocyanate, 99%

CAS: 621-29-4 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002021 InChI Key: CPPGZWWUPFWALU-UHFFFAOYSA-N Synonym: m-tolyl isocyanate,benzene, 1-isocyanato-3-methyl,meta-tolyl isocyanate,m-tolylisocyanate,m-isocyanatotoluene,3-methylphenyl isocyanate,3-tolyl isocyanate,3-methylphenylisocyanate,1-isocyanato-3-methyl-benzene,m-methylphenyl isocyanate PubChem CID: 69303 IUPAC Name: 1-isocyanato-3-methylbenzene SMILES: CC1=CC=CC(=C1)N=C=O

PubChem CID 69303
CAS 621-29-4
Molecular Weight (g/mol) 133.15
MDL Number MFCD00002021
SMILES CC1=CC=CC(=C1)N=C=O
Synonym m-tolyl isocyanate,benzene, 1-isocyanato-3-methyl,meta-tolyl isocyanate,m-tolylisocyanate,m-isocyanatotoluene,3-methylphenyl isocyanate,3-tolyl isocyanate,3-methylphenylisocyanate,1-isocyanato-3-methyl-benzene,m-methylphenyl isocyanate
IUPAC Name 1-isocyanato-3-methylbenzene
InChI Key CPPGZWWUPFWALU-UHFFFAOYSA-N
Molecular Formula C8H7NO
6

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
8

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
9

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
10

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
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

1-Naphthyl isocyanate, 98%

CAS: 86-84-0 Molecular Formula: C11H7NO MDL Number: MFCD00003881 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

PubChem CID 66589
CAS 86-84-0
MDL Number MFCD00003881
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
Molecular Formula C11H7NO
13

3,4-Dichlorophenyl isocyanate, 97%

CAS: 102-36-3 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.007 MDL Number: MFCD00002017 InChI Key: MFUVCHZWGSJKEQ-UHFFFAOYSA-N Synonym: 3,4-dichlorophenyl isocyanate,benzene, 1,2-dichloro-4-isocyanato,3,4-dichlorfenylisokyanat,isocyanic acid 3,4-dichlorophenyl ester,3,4-dichlorophenylisocyanate,unii-ozw0b7f1du,3,4-dichlorphenylisocyanate,isocyanic acid, 3,4-dichlorophenyl ester,3,4-dichlorfenylisokyanat czech,ozw0b7f1du PubChem CID: 7607 IUPAC Name: 1,2-dichloro-4-isocyanatobenzene SMILES: C1=CC(=C(C=C1N=C=O)Cl)Cl

PubChem CID 7607
CAS 102-36-3
Molecular Weight (g/mol) 188.007
MDL Number MFCD00002017
SMILES C1=CC(=C(C=C1N=C=O)Cl)Cl
Synonym 3,4-dichlorophenyl isocyanate,benzene, 1,2-dichloro-4-isocyanato,3,4-dichlorfenylisokyanat,isocyanic acid 3,4-dichlorophenyl ester,3,4-dichlorophenylisocyanate,unii-ozw0b7f1du,3,4-dichlorphenylisocyanate,isocyanic acid, 3,4-dichlorophenyl ester,3,4-dichlorfenylisokyanat czech,ozw0b7f1du
IUPAC Name 1,2-dichloro-4-isocyanatobenzene
InChI Key MFUVCHZWGSJKEQ-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NO
14

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
15

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