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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 113 results
1

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

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
2

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
3

2-Ethoxyphenyl isocyanate, 97%

CAS: 5395-71-1 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00002007 InChI Key: BUIQXUQLYZPMLS-UHFFFAOYSA-N Synonym: 2-ethoxyphenyl isocyanate,o-ethoxyphenyl isocyanate,benzene, 1-ethoxy-2-isocyanato,isocyanic acid, o-ethoxyphenyl ester,2-ethoxyphenylisocyanate,2-ethoxybenzenisocyanate,acmc-20anwp,ethoxyphenyl isocyanate,2-ethoxy phenyl isocyanate,# PubChem CID: 79374 IUPAC Name: 1-ethoxy-2-isocyanatobenzene SMILES: CCOC1=CC=CC=C1N=C=O

PubChem CID 79374
CAS 5395-71-1
Molecular Weight (g/mol) 163.18
MDL Number MFCD00002007
SMILES CCOC1=CC=CC=C1N=C=O
Synonym 2-ethoxyphenyl isocyanate,o-ethoxyphenyl isocyanate,benzene, 1-ethoxy-2-isocyanato,isocyanic acid, o-ethoxyphenyl ester,2-ethoxyphenylisocyanate,2-ethoxybenzenisocyanate,acmc-20anwp,ethoxyphenyl isocyanate,2-ethoxy phenyl isocyanate,#
IUPAC Name 1-ethoxy-2-isocyanatobenzene
InChI Key BUIQXUQLYZPMLS-UHFFFAOYSA-N
Molecular Formula C9H9NO2
4

3-Chloropropyl isocyanate, 97%, Thermo Scientific Chemicals

CAS: 13010-19-0 Molecular Formula: C4H6ClNO Molecular Weight (g/mol): 119.55 MDL Number: MFCD00010384 InChI Key: RQAVSDINDRNIKL-UHFFFAOYSA-N Synonym: 3-chloropropyl isocyanate,3-chloropropylisocyanate,propane, 1-chloro-3-isocyanato,1-chloro-3-isocyanato-propane,chloropropylisocyanate,chloropropyl isocyanate,3-chloropropanisocyanate,chloro propyl isocyanate,acmc-20an5q,3-chloropropyl-isocyanate PubChem CID: 166752 IUPAC Name: 1-chloro-3-isocyanatopropane SMILES: ClCCCN=C=O

PubChem CID 166752
CAS 13010-19-0
Molecular Weight (g/mol) 119.55
MDL Number MFCD00010384
SMILES ClCCCN=C=O
Synonym 3-chloropropyl isocyanate,3-chloropropylisocyanate,propane, 1-chloro-3-isocyanato,1-chloro-3-isocyanato-propane,chloropropylisocyanate,chloropropyl isocyanate,3-chloropropanisocyanate,chloro propyl isocyanate,acmc-20an5q,3-chloropropyl-isocyanate
IUPAC Name 1-chloro-3-isocyanatopropane
InChI Key RQAVSDINDRNIKL-UHFFFAOYSA-N
Molecular Formula C4H6ClNO
5

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
6

4-(Trifluoromethoxy)phenyl isocyanate, 97%

CAS: 35037-73-1 Molecular Formula: C8H4F3NO2 Molecular Weight (g/mol): 203.12 MDL Number: MFCD00035702 InChI Key: LGPKFIGMLPDYEA-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenyl isocyanate,1-isocyanato-4-trifluoromethoxy benzene,4-trifluoromethoxy phenylisocyanate,4-trifluoromethoxyphenylisocyanate,benzene, 1-isocyanato-4-trifluoromethoxy,1-isocyanato-4-trifluoromethoxy-benzene,p-trifluoromethoxy phenyl isocyanate,isocyanic acid 4-trifluoromethoxy phenyl ester,4-trifluoromethoxy benzenisocyanate PubChem CID: 92298 IUPAC Name: 1-isocyanato-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1N=C=O)OC(F)(F)F

PubChem CID 92298
CAS 35037-73-1
Molecular Weight (g/mol) 203.12
MDL Number MFCD00035702
SMILES C1=CC(=CC=C1N=C=O)OC(F)(F)F
Synonym 4-trifluoromethoxy phenyl isocyanate,1-isocyanato-4-trifluoromethoxy benzene,4-trifluoromethoxy phenylisocyanate,4-trifluoromethoxyphenylisocyanate,benzene, 1-isocyanato-4-trifluoromethoxy,1-isocyanato-4-trifluoromethoxy-benzene,p-trifluoromethoxy phenyl isocyanate,isocyanic acid 4-trifluoromethoxy phenyl ester,4-trifluoromethoxy benzenisocyanate
IUPAC Name 1-isocyanato-4-(trifluoromethoxy)benzene
InChI Key LGPKFIGMLPDYEA-UHFFFAOYSA-N
Molecular Formula C8H4F3NO2
7

(S)-(-)-1-(4-Methoxyphenyl)ethyl isocyanate, 95%

CAS: 745783-83-9 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD05664085 InChI Key: WTNKKJUXEYSETC-QMMMGPOBSA-N Synonym: s---1-4-methoxyphenyl ethyl isocyanate,1-1s-1-isocyanatoethyl-4-methoxybenzene,s-1-4-methoxyphenyl ethylisocyanate,s---1-4-methoxyphenyl ethylisocyanate,s ?-?-? ?-?1-? 4-?methoxyphenyl ?ethyl isocyanat,benzene, 1-1s-1-isocyanatoethyl-4-methoxy-9ci,s---1-3-methoxyphenyl ethyl isocyanate PubChem CID: 7018272 IUPAC Name: 1-[(1S)-1-isocyanatoethyl]-4-methoxybenzene SMILES: CC(C1=CC=C(C=C1)OC)N=C=O

PubChem CID 7018272
CAS 745783-83-9
Molecular Weight (g/mol) 177.203
MDL Number MFCD05664085
SMILES CC(C1=CC=C(C=C1)OC)N=C=O
Synonym s---1-4-methoxyphenyl ethyl isocyanate,1-1s-1-isocyanatoethyl-4-methoxybenzene,s-1-4-methoxyphenyl ethylisocyanate,s---1-4-methoxyphenyl ethylisocyanate,s ?-?-? ?-?1-? 4-?methoxyphenyl ?ethyl isocyanat,benzene, 1-1s-1-isocyanatoethyl-4-methoxy-9ci,s---1-3-methoxyphenyl ethyl isocyanate
IUPAC Name 1-[(1S)-1-isocyanatoethyl]-4-methoxybenzene
InChI Key WTNKKJUXEYSETC-QMMMGPOBSA-N
Molecular Formula C10H11NO2
8

3,5-Dichlorophenyl isocyanate, 96%

CAS: 34893-92-0 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.01 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) 188.01
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
9

4-Cyanophenyl isocyanate, 95%, Thermo Scientific Chemicals

CAS: 40465-45-0 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.13 MDL Number: MFCD00037038 InChI Key: TVSXDZNUTPLDKY-UHFFFAOYSA-N PubChem CID: 170380 IUPAC Name: 4-isocyanatobenzonitrile SMILES: C1=CC(=CC=C1C#N)N=C=O

PubChem CID 170380
CAS 40465-45-0
Molecular Weight (g/mol) 144.13
MDL Number MFCD00037038
SMILES C1=CC(=CC=C1C#N)N=C=O
IUPAC Name 4-isocyanatobenzonitrile
InChI Key TVSXDZNUTPLDKY-UHFFFAOYSA-N
Molecular Formula C8H4N2O
10

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
11

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
12

Phenethyl isocyanate, 99%

CAS: 1943-82-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00037044 InChI Key: HACRKYQRZABURO-UHFFFAOYSA-N Synonym: phenethyl isocyanate,2-isocyanatoethyl benzene,phenylethyl isocyanate,2-phenylethyl isocyanate,2-phenylethylisocyanate,phenylethylisocyanate,phenethylisocyanate,benzene, 2-isocyanatoethyl,2-isocyanato-ethyl-benzene,2-phenethyl isocyanate PubChem CID: 160602 ChEBI: CHEBI:60067 IUPAC Name: 2-isocyanatoethylbenzene SMILES: C1=CC=C(C=C1)CCN=C=O

PubChem CID 160602
CAS 1943-82-4
Molecular Weight (g/mol) 147.18
ChEBI CHEBI:60067
MDL Number MFCD00037044
SMILES C1=CC=C(C=C1)CCN=C=O
Synonym phenethyl isocyanate,2-isocyanatoethyl benzene,phenylethyl isocyanate,2-phenylethyl isocyanate,2-phenylethylisocyanate,phenylethylisocyanate,phenethylisocyanate,benzene, 2-isocyanatoethyl,2-isocyanato-ethyl-benzene,2-phenethyl isocyanate
IUPAC Name 2-isocyanatoethylbenzene
InChI Key HACRKYQRZABURO-UHFFFAOYSA-N
Molecular Formula C9H9NO
13

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
14

4-(Trifluoromethoxy)phenyl isocyanate, 97%, Thermo Scientific™

CAS: 35037-73-1 Molecular Formula: C8H4F3NO2 Molecular Weight (g/mol): 203.12 MDL Number: MFCD00035702 InChI Key: LGPKFIGMLPDYEA-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenyl isocyanate,1-isocyanato-4-trifluoromethoxy benzene,4-trifluoromethoxy phenylisocyanate,4-trifluoromethoxyphenylisocyanate,benzene, 1-isocyanato-4-trifluoromethoxy,1-isocyanato-4-trifluoromethoxy-benzene,p-trifluoromethoxy phenyl isocyanate,isocyanic acid 4-trifluoromethoxy phenyl ester,4-trifluoromethoxy benzenisocyanate PubChem CID: 92298 IUPAC Name: 1-isocyanato-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1N=C=O)OC(F)(F)F

PubChem CID 92298
CAS 35037-73-1
Molecular Weight (g/mol) 203.12
MDL Number MFCD00035702
SMILES C1=CC(=CC=C1N=C=O)OC(F)(F)F
Synonym 4-trifluoromethoxy phenyl isocyanate,1-isocyanato-4-trifluoromethoxy benzene,4-trifluoromethoxy phenylisocyanate,4-trifluoromethoxyphenylisocyanate,benzene, 1-isocyanato-4-trifluoromethoxy,1-isocyanato-4-trifluoromethoxy-benzene,p-trifluoromethoxy phenyl isocyanate,isocyanic acid 4-trifluoromethoxy phenyl ester,4-trifluoromethoxy benzenisocyanate
IUPAC Name 1-isocyanato-4-(trifluoromethoxy)benzene
InChI Key LGPKFIGMLPDYEA-UHFFFAOYSA-N
Molecular Formula C8H4F3NO2
15

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