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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 17 results
1

2,3-Dihydro-1-benzofuran-5-yl isocyanate, 97%, Maybridge™

CAS: 215162-92-8 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD02677718 InChI Key: WAIKTAFMGLVRJC-UHFFFAOYSA-N Synonym: 2,3-dihydro-1-benzofuran-5-yl isocyanate,5-isocyanato-2,3-dihydrobenzofuran,2,3-dihydro-1-benzofuran-5-ylisocyanate,2,3-dihydrobenzo b furan-5-isocyanate,benzofuran,2,3-dihydro-5-isocyanato,2,3-dihydrobenzofuran-5-yl isocyanate,2,3-dihydro-5-isocyanatobenzo b furan,5-isocyanato-2,3-dihydrobenzo b furan,2,3-dihydro-5-isocyanato-1-benzofuran,2,3-dihydro-1-benzofuran-5-yl-isocyanate PubChem CID: 2776156 IUPAC Name: 5-isocyanato-2,3-dihydro-1-benzofuran SMILES: C1COC2=C1C=C(C=C2)N=C=O

PubChem CID 2776156
CAS 215162-92-8
Molecular Weight (g/mol) 161.16
MDL Number MFCD02677718
SMILES C1COC2=C1C=C(C=C2)N=C=O
Synonym 2,3-dihydro-1-benzofuran-5-yl isocyanate,5-isocyanato-2,3-dihydrobenzofuran,2,3-dihydro-1-benzofuran-5-ylisocyanate,2,3-dihydrobenzo b furan-5-isocyanate,benzofuran,2,3-dihydro-5-isocyanato,2,3-dihydrobenzofuran-5-yl isocyanate,2,3-dihydro-5-isocyanatobenzo b furan,5-isocyanato-2,3-dihydrobenzo b furan,2,3-dihydro-5-isocyanato-1-benzofuran,2,3-dihydro-1-benzofuran-5-yl-isocyanate
IUPAC Name 5-isocyanato-2,3-dihydro-1-benzofuran
InChI Key WAIKTAFMGLVRJC-UHFFFAOYSA-N
Molecular Formula C9H7NO2
2

1-Isocyanato-2-(phenoxymethyl)benzene, 97%, Thermo Scientific™

CAS: 910037-00-2 Molecular Formula: C14H11NO2 Molecular Weight (g/mol): 225.25 MDL Number: MFCD09025892 InChI Key: FGEXXDXHIUWRRS-UHFFFAOYSA-N Synonym: 1-isocyanato-2-phenoxymethyl benzene,2-phenoxymethyl benzenisocyanate PubChem CID: 18525894 IUPAC Name: 1-isocyanato-2-(phenoxymethyl)benzene SMILES: O=C=NC1=CC=CC=C1COC1=CC=CC=C1

PubChem CID 18525894
CAS 910037-00-2
Molecular Weight (g/mol) 225.25
MDL Number MFCD09025892
SMILES O=C=NC1=CC=CC=C1COC1=CC=CC=C1
Synonym 1-isocyanato-2-phenoxymethyl benzene,2-phenoxymethyl benzenisocyanate
IUPAC Name 1-isocyanato-2-(phenoxymethyl)benzene
InChI Key FGEXXDXHIUWRRS-UHFFFAOYSA-N
Molecular Formula C14H11NO2
3

6-Isocyanatochroman, 97%, Thermo Scientific™

CAS: 1002727-87-8 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD12198109 InChI Key: YNAWMZLOWDUDQF-UHFFFAOYSA-N Synonym: 6-isocyanatochroman,6-isocyanato-3,4-dihydro-2h-1-benzopyran,chroman-6-isocyanate PubChem CID: 43811033 IUPAC Name: 6-isocyanato-3,4-dihydro-2H-chromene SMILES: C1CC2=C(C=CC(=C2)N=C=O)OC1

PubChem CID 43811033
CAS 1002727-87-8
Molecular Weight (g/mol) 175.187
MDL Number MFCD12198109
SMILES C1CC2=C(C=CC(=C2)N=C=O)OC1
Synonym 6-isocyanatochroman,6-isocyanato-3,4-dihydro-2h-1-benzopyran,chroman-6-isocyanate
IUPAC Name 6-isocyanato-3,4-dihydro-2H-chromene
InChI Key YNAWMZLOWDUDQF-UHFFFAOYSA-N
Molecular Formula C10H9NO2
4

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
5

2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl isocyanate, 97%, Thermo Scientific™

CAS: 87254-55-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.214 MDL Number: MFCD09025825 InChI Key: JTJCJMYVKXVWIJ-UHFFFAOYSA-N Synonym: 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl isocyanate,7-isocyanato-2,2-dimethyl-2,3-dihydro-1-benzofuran,2,2-dimethyl-2,3-dihydrobenzo b furan-7-isocyanate,benzofuran,2,3-dihydro-7-isocyanato-2,2-dimethyl PubChem CID: 18525712 IUPAC Name: 7-isocyanato-2,2-dimethyl-3H-1-benzofuran SMILES: CC1(CC2=C(O1)C(=CC=C2)N=C=O)C

PubChem CID 18525712
CAS 87254-55-5
Molecular Weight (g/mol) 189.214
MDL Number MFCD09025825
SMILES CC1(CC2=C(O1)C(=CC=C2)N=C=O)C
Synonym 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl isocyanate,7-isocyanato-2,2-dimethyl-2,3-dihydro-1-benzofuran,2,2-dimethyl-2,3-dihydrobenzo b furan-7-isocyanate,benzofuran,2,3-dihydro-7-isocyanato-2,2-dimethyl
IUPAC Name 7-isocyanato-2,2-dimethyl-3H-1-benzofuran
InChI Key JTJCJMYVKXVWIJ-UHFFFAOYSA-N
Molecular Formula C11H11NO2
6

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
7

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
8

3-Isocyanato-5-methyl-2-phenylfuran, 97%, Thermo Scientific™

CAS: 898289-18-4 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.209 MDL Number: MFCD09025851 InChI Key: GDLFJANXKGIZKA-UHFFFAOYSA-N Synonym: 5-methyl-2-phenylfuran-3-isocyanate,furan,3-isocyanato-5-methyl-2-phenyl PubChem CID: 18525836 IUPAC Name: 3-isocyanato-5-methyl-2-phenylfuran SMILES: CC1=CC(=C(O1)C2=CC=CC=C2)N=C=O

PubChem CID 18525836
CAS 898289-18-4
Molecular Weight (g/mol) 199.209
MDL Number MFCD09025851
SMILES CC1=CC(=C(O1)C2=CC=CC=C2)N=C=O
Synonym 5-methyl-2-phenylfuran-3-isocyanate,furan,3-isocyanato-5-methyl-2-phenyl
IUPAC Name 3-isocyanato-5-methyl-2-phenylfuran
InChI Key GDLFJANXKGIZKA-UHFFFAOYSA-N
Molecular Formula C12H9NO2
9

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
10

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
11

1-Benzothiophen-5-yl isocyanate, 97%, Thermo Scientific™

CAS: 239097-78-0 Molecular Formula: C9H5NOS Molecular Weight (g/mol): 175.205 InChI Key: GWLZJAWTWVSHCU-UHFFFAOYSA-N Synonym: 1-benzothiophen-5-yl isocyanate,1-benzothiophen-5-ylisocyanate,benzo b thiophen-5-isocyanate,5-isocyanato-benzo b thiophene,benzo b thiophene,5-isocyanato PubChem CID: 7060535 IUPAC Name: 5-isocyanato-1-benzothiophene SMILES: C1=CC2=C(C=CS2)C=C1N=C=O

PubChem CID 7060535
CAS 239097-78-0
Molecular Weight (g/mol) 175.205
SMILES C1=CC2=C(C=CS2)C=C1N=C=O
Synonym 1-benzothiophen-5-yl isocyanate,1-benzothiophen-5-ylisocyanate,benzo b thiophen-5-isocyanate,5-isocyanato-benzo b thiophene,benzo b thiophene,5-isocyanato
IUPAC Name 5-isocyanato-1-benzothiophene
InChI Key GWLZJAWTWVSHCU-UHFFFAOYSA-N
Molecular Formula C9H5NOS
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

Methyl 3-isocyanatobenzoate, 97%, Maybridge™

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
14

2-Methyl-5-phenyl-3-furyl isocyanate, Thermo Scientific™

CAS: 568577-82-2 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.209 InChI Key: LVNIEPBRJLDJHU-UHFFFAOYSA-N Synonym: 2-methyl-5-phenyl-3-furyl isocyanate,2-methyl-5-phenyl-3-furylisocyanate,2-methyl-5-phenylfuran-3-isocyanate,3-isocyanato-2-methyl-5-phenyl-furan PubChem CID: 2795315 IUPAC Name: 3-isocyanato-2-methyl-5-phenylfuran SMILES: CC1=C(C=C(O1)C2=CC=CC=C2)N=C=O

PubChem CID 2795315
CAS 568577-82-2
Molecular Weight (g/mol) 199.209
SMILES CC1=C(C=C(O1)C2=CC=CC=C2)N=C=O
Synonym 2-methyl-5-phenyl-3-furyl isocyanate,2-methyl-5-phenyl-3-furylisocyanate,2-methyl-5-phenylfuran-3-isocyanate,3-isocyanato-2-methyl-5-phenyl-furan
IUPAC Name 3-isocyanato-2-methyl-5-phenylfuran
InChI Key LVNIEPBRJLDJHU-UHFFFAOYSA-N
Molecular Formula C12H9NO2
15

2,4-Dimethoxyphenyl isocyanate, 97%, Thermo Scientific™

CAS: 84370-87-6 MDL Number: MFCD00002005 InChI Key: WRAZHLRMDRTLOZ-UHFFFAOYSA-N 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
MDL Number MFCD00002005
SMILES COC1=CC(=C(C=C1)N=C=O)OC
IUPAC Name 1-isocyanato-2,4-dimethoxybenzene
InChI Key WRAZHLRMDRTLOZ-UHFFFAOYSA-N