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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 25 results
1

3-(Ethoxycarbonyl)phenyl isocyanate, 97%

CAS: 67531-68-4 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD00013865 InChI Key: UPXGGIRFDZENRD-UHFFFAOYSA-N Synonym: 3-ethoxycarbonyl phenyl isocyanate,3-carbethoxyphenyl isocyanate,3-ethoxycarbonylphenyl isocyanate,3-ethoxycarbonyl phenylisocyanate,3-isocyanatobenzoic acid ethyl ester,3-carboethoxyphenyl isocyanate,#,ethyl 3-isocyanatobenzoate,3-ethoxycarbonyl phenylisothiocyanate,3-isocyanato-benzoic acid ethyl ester PubChem CID: 589806 IUPAC Name: ethyl 3-isocyanatobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)N=C=O

PubChem CID 589806
CAS 67531-68-4
Molecular Weight (g/mol) 191.19
MDL Number MFCD00013865
SMILES CCOC(=O)C1=CC(=CC=C1)N=C=O
Synonym 3-ethoxycarbonyl phenyl isocyanate,3-carbethoxyphenyl isocyanate,3-ethoxycarbonylphenyl isocyanate,3-ethoxycarbonyl phenylisocyanate,3-isocyanatobenzoic acid ethyl ester,3-carboethoxyphenyl isocyanate,#,ethyl 3-isocyanatobenzoate,3-ethoxycarbonyl phenylisothiocyanate,3-isocyanato-benzoic acid ethyl ester
IUPAC Name ethyl 3-isocyanatobenzoate
InChI Key UPXGGIRFDZENRD-UHFFFAOYSA-N
Molecular Formula C10H9NO3
2

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
3

3-(Methoxycarbonyl)phenyl isocyanate, 97%

CAS: 41221-47-0 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00037077 InChI Key: WBGWGERFPSYHDT-UHFFFAOYSA-N Synonym: 3-carbomethoxyphenyl isocyanate,3-isocyanatobenzoic acid methyl ester,benzoic acid, 3-isocyanato-, methyl ester,3-methoxycarbonyl phenyl isocyanate,acmc-20akh8,methyl-3-isocyanatobenzoate,3-carbomethoxyphenylisocyanate,methyl 3-isocyanatobenzoate,3-isocyanato-benzoic acid methyl ester,m-methoxycarbonylphenyl isocyanate PubChem CID: 2733366 IUPAC Name: methyl 3-isocyanatobenzoate SMILES: COC(=O)C1=CC=CC(=C1)N=C=O

PubChem CID 2733366
CAS 41221-47-0
Molecular Weight (g/mol) 177.16
MDL Number MFCD00037077
SMILES COC(=O)C1=CC=CC(=C1)N=C=O
Synonym 3-carbomethoxyphenyl isocyanate,3-isocyanatobenzoic acid methyl ester,benzoic acid, 3-isocyanato-, methyl ester,3-methoxycarbonyl phenyl isocyanate,acmc-20akh8,methyl-3-isocyanatobenzoate,3-carbomethoxyphenylisocyanate,methyl 3-isocyanatobenzoate,3-isocyanato-benzoic acid methyl ester,m-methoxycarbonylphenyl isocyanate
IUPAC Name methyl 3-isocyanatobenzoate
InChI Key WBGWGERFPSYHDT-UHFFFAOYSA-N
Molecular Formula C9H7NO3
4

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
5

4-Isocyanato-5-methyl-1-phenyl-1H-pyrazole 97+%, Thermo Scientific™

CAS: 799283-97-9 Molecular Formula: C11H9N3O Molecular Weight (g/mol): 199.213 InChI Key: IIFVDOYRTLEGHQ-UHFFFAOYSA-N Synonym: 4-isocyanato-5-methyl-1-phenyl-1h-pyrazole,5-methyl-1-phenylpyrazol-4-isocyanate,1h-pyrazole,4-isocyanato-5-methyl-1-phenyl,5-methyl-1-phenyl-1h-pyrazol-4-yl isocyanate,4-isocyanato-5-methyl-1h-pyrazol-4-yl benzene PubChem CID: 7164551 IUPAC Name: 4-isocyanato-5-methyl-1-phenylpyrazole SMILES: CC1=C(C=NN1C2=CC=CC=C2)N=C=O

PubChem CID 7164551
CAS 799283-97-9
Molecular Weight (g/mol) 199.213
SMILES CC1=C(C=NN1C2=CC=CC=C2)N=C=O
Synonym 4-isocyanato-5-methyl-1-phenyl-1h-pyrazole,5-methyl-1-phenylpyrazol-4-isocyanate,1h-pyrazole,4-isocyanato-5-methyl-1-phenyl,5-methyl-1-phenyl-1h-pyrazol-4-yl isocyanate,4-isocyanato-5-methyl-1h-pyrazol-4-yl benzene
IUPAC Name 4-isocyanato-5-methyl-1-phenylpyrazole
InChI Key IIFVDOYRTLEGHQ-UHFFFAOYSA-N
Molecular Formula C11H9N3O
6
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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
8

2-(4-Isocyanatophenyl)pyrimidine, 90%, Thermo Scientific™

CAS: 216059-84-6 Molecular Formula: C11H7N3O Molecular Weight (g/mol): 197.20 MDL Number: MFCD09702380 InChI Key: VGGNOZLRRMBBQL-UHFFFAOYSA-N Synonym: 2-4-isocyanatophenyl pyrimidine,4-pyrimidin-2-ylbenzenisocyanate,4-pyrimidin-2-yl phenylisocyanate,pyrimidine,2-4-isocyanatophenyl,4-pyrimidin-2-yl phenyl isocyanate PubChem CID: 24229558 IUPAC Name: 2-(4-isocyanatophenyl)pyrimidine SMILES: O=C=NC1=CC=C(C=C1)C1=NC=CC=N1

PubChem CID 24229558
CAS 216059-84-6
Molecular Weight (g/mol) 197.20
MDL Number MFCD09702380
SMILES O=C=NC1=CC=C(C=C1)C1=NC=CC=N1
Synonym 2-4-isocyanatophenyl pyrimidine,4-pyrimidin-2-ylbenzenisocyanate,4-pyrimidin-2-yl phenylisocyanate,pyrimidine,2-4-isocyanatophenyl,4-pyrimidin-2-yl phenyl isocyanate
IUPAC Name 2-(4-isocyanatophenyl)pyrimidine
InChI Key VGGNOZLRRMBBQL-UHFFFAOYSA-N
Molecular Formula C11H7N3O
9

2-Ethylphenyl isocyanate, 97%, Thermo Scientific™

CAS: 40411-25-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00002013 InChI Key: ZVFNUQWYLXXSJM-UHFFFAOYSA-N Synonym: 2-ethylphenyl isocyanate,2-ethylphenylisocyanate,o-ethylphenyl isocyanate,benzene, ethylisocyanato,2-ethylbenzenisocyanate,2-eth-ylphenyl isocyanate,2-ethyl phenyl isocyanate,2-ethyl-phenyl isocyanate,acmc-1amc4,1-ethyl-2-isocyanato-benzene PubChem CID: 583486 IUPAC Name: 1-ethyl-2-isocyanatobenzene SMILES: CCC1=CC=CC=C1N=C=O

PubChem CID 583486
CAS 40411-25-4
Molecular Weight (g/mol) 147.177
MDL Number MFCD00002013
SMILES CCC1=CC=CC=C1N=C=O
Synonym 2-ethylphenyl isocyanate,2-ethylphenylisocyanate,o-ethylphenyl isocyanate,benzene, ethylisocyanato,2-ethylbenzenisocyanate,2-eth-ylphenyl isocyanate,2-ethyl phenyl isocyanate,2-ethyl-phenyl isocyanate,acmc-1amc4,1-ethyl-2-isocyanato-benzene
IUPAC Name 1-ethyl-2-isocyanatobenzene
InChI Key ZVFNUQWYLXXSJM-UHFFFAOYSA-N
Molecular Formula C9H9NO
10

2,4-Dichlorophenyl isocyanate, 96%

CAS: 2612-57-9 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.007 MDL Number: MFCD00002001 InChI Key: OLBJNSPBWLCTOT-UHFFFAOYSA-N Synonym: 2,4-dichlorophenyl isocyanate,2,4-dichlorophenylisocyanate,benzene, 2,4-dichloro-1-isocyanato,2,4-dichlorophenyl isocyantae,2,4-dichlorobenzenisocyanate,acmc-1cg9n,2,4-dichlorphenyl isocyanate,2,4-dichloro phenyl isocyanate,# PubChem CID: 75789 IUPAC Name: 2,4-dichloro-1-isocyanatobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)N=C=O

PubChem CID 75789
CAS 2612-57-9
Molecular Weight (g/mol) 188.007
MDL Number MFCD00002001
SMILES C1=CC(=C(C=C1Cl)Cl)N=C=O
Synonym 2,4-dichlorophenyl isocyanate,2,4-dichlorophenylisocyanate,benzene, 2,4-dichloro-1-isocyanato,2,4-dichlorophenyl isocyantae,2,4-dichlorobenzenisocyanate,acmc-1cg9n,2,4-dichlorphenyl isocyanate,2,4-dichloro phenyl isocyanate,#
IUPAC Name 2,4-dichloro-1-isocyanatobenzene
InChI Key OLBJNSPBWLCTOT-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NO
11

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
12

4-(4-Isocyanatophenoxy)tetrahydropyran, 97%, Thermo Scientific™

CAS: 892501-94-9 Molecular Formula: C12H13NO3 Molecular Weight (g/mol): 219.24 MDL Number: MFCD09702366 InChI Key: ZGNHUEWFJQLPDN-UHFFFAOYSA-N Synonym: 4-4-isocyanatophenoxy oxane,4-4-isocyanatophenoxy tetrahydropyran,4-4-isocyanatophenoxy tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-4-isocyanatophenoxy,4-tetrahydro-2h-pyran-4-yl oxy phenyl isocyanate,1-isocyanato-4-tetrahydro-2h-pyran-4-yl oxy benzene,4-2h-3,4,5,6-tetrahydropyran-4-yloxy benzenisocyanate PubChem CID: 24229521 IUPAC Name: 4-(4-isocyanatophenoxy)oxane SMILES: C1COCCC1OC2=CC=C(C=C2)N=C=O

PubChem CID 24229521
CAS 892501-94-9
Molecular Weight (g/mol) 219.24
MDL Number MFCD09702366
SMILES C1COCCC1OC2=CC=C(C=C2)N=C=O
Synonym 4-4-isocyanatophenoxy oxane,4-4-isocyanatophenoxy tetrahydropyran,4-4-isocyanatophenoxy tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-4-isocyanatophenoxy,4-tetrahydro-2h-pyran-4-yl oxy phenyl isocyanate,1-isocyanato-4-tetrahydro-2h-pyran-4-yl oxy benzene,4-2h-3,4,5,6-tetrahydropyran-4-yloxy benzenisocyanate
IUPAC Name 4-(4-isocyanatophenoxy)oxane
InChI Key ZGNHUEWFJQLPDN-UHFFFAOYSA-N
Molecular Formula C12H13NO3
13

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
14

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
15

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