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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

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
2

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
3

4-Ethoxyphenyl isocyanate, 97%

CAS: 32459-62-4 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00013877 InChI Key: FMYVTFRADSNGDN-UHFFFAOYSA-N Synonym: 4-ethoxyphenyl isocyanate,benzene, 1-ethoxy-4-isocyanato,4-ethoxyphenylisocyanate,4-isocyanatophenetole,isocyanic acid 4-ethoxyphenyl ester,p-ethoxy phenyl isocyanate,4-ethoxybenzenisocyanate,pubchem3178,p-athoxyphenylisocyanat,acmc-1afep PubChem CID: 122887 IUPAC Name: 1-ethoxy-4-isocyanatobenzene SMILES: CCOC1=CC=C(C=C1)N=C=O

PubChem CID 122887
CAS 32459-62-4
Molecular Weight (g/mol) 163.18
MDL Number MFCD00013877
SMILES CCOC1=CC=C(C=C1)N=C=O
Synonym 4-ethoxyphenyl isocyanate,benzene, 1-ethoxy-4-isocyanato,4-ethoxyphenylisocyanate,4-isocyanatophenetole,isocyanic acid 4-ethoxyphenyl ester,p-ethoxy phenyl isocyanate,4-ethoxybenzenisocyanate,pubchem3178,p-athoxyphenylisocyanat,acmc-1afep
IUPAC Name 1-ethoxy-4-isocyanatobenzene
InChI Key FMYVTFRADSNGDN-UHFFFAOYSA-N
Molecular Formula C9H9NO2
4

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
5

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
6

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
7

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
8

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
9

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
10

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
11

4-Isocyanatobenzeneboronic acid pinacol ester, 95%

CAS: 380430-64-8 Molecular Formula: C13H16BNO3 Molecular Weight (g/mol): 245.085 MDL Number: MFCD03411942 InChI Key: RHKRIDVZGAXYQE-UHFFFAOYSA-N Synonym: 2-4-isocyanatophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-isocyanatophenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-isocyanatophenyl-4,4,5,5-tetramethyl,4-isocyanatophenylboronic acid, pinacol ester,4-isocyanatophenyl boronic acid pinacol ester,4-isocyanatobenzeneboronic acid pinacol ester,4-isocyanatophenyl boronic acid, pinacol ester,4-isocyanatophenyl boronic acid,pinacol ester,2-4-isocyanato-phenyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane PubChem CID: 2773474 IUPAC Name: 2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N=C=O

PubChem CID 2773474
CAS 380430-64-8
Molecular Weight (g/mol) 245.085
MDL Number MFCD03411942
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N=C=O
Synonym 2-4-isocyanatophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-isocyanatophenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-isocyanatophenyl-4,4,5,5-tetramethyl,4-isocyanatophenylboronic acid, pinacol ester,4-isocyanatophenyl boronic acid pinacol ester,4-isocyanatobenzeneboronic acid pinacol ester,4-isocyanatophenyl boronic acid, pinacol ester,4-isocyanatophenyl boronic acid,pinacol ester,2-4-isocyanato-phenyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane
IUPAC Name 2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key RHKRIDVZGAXYQE-UHFFFAOYSA-N
Molecular Formula C13H16BNO3
12

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
13

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
14

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

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
15

2-Chloroethyl isocyanate, 97%

CAS: 1943-83-5 Molecular Formula: C3H4ClNO Molecular Weight (g/mol): 105.521 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

PubChem CID 16035
CAS 1943-83-5
Molecular Weight (g/mol) 105.521
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