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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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Physical Form 
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Molecular Weight (g/mol)

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Grade

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1 – 15 of 67 results
1

Trichloroacetyl isocyanate, NMR grade

CAS: 3019-71-4 Molecular Formula: C3Cl3NO2 Molecular Weight (g/mol): 188.39 MDL Number: MFCD00002033 InChI Key: GRNOZCCBOFGDCL-UHFFFAOYSA-N Synonym: trichloroacetyl isocyanate,acetyl isocyanate, trichloro,trichloroacetylisocyanate,isocyanic acid trichloroacetyl ester,unii-qxv1p5j6jl,qxv1p5j6jl,acetyl isocyanate, 2,2,2-trichloro,2,2,2-trichloroethanecarbonyl isocyanate,trichloroethanecarbonyl isocyanate,trichloroacetyl isocyanate, nmr grade PubChem CID: 76400 IUPAC Name: 2,2,2-trichloroacetyl isocyanate SMILES: ClC(Cl)(Cl)C(=O)N=C=O

PubChem CID 76400
CAS 3019-71-4
Molecular Weight (g/mol) 188.39
MDL Number MFCD00002033
SMILES ClC(Cl)(Cl)C(=O)N=C=O
Synonym trichloroacetyl isocyanate,acetyl isocyanate, trichloro,trichloroacetylisocyanate,isocyanic acid trichloroacetyl ester,unii-qxv1p5j6jl,qxv1p5j6jl,acetyl isocyanate, 2,2,2-trichloro,2,2,2-trichloroethanecarbonyl isocyanate,trichloroethanecarbonyl isocyanate,trichloroacetyl isocyanate, nmr grade
IUPAC Name 2,2,2-trichloroacetyl isocyanate
InChI Key GRNOZCCBOFGDCL-UHFFFAOYSA-N
Molecular Formula C3Cl3NO2
2

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
3

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
4

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
5

(S)-(-)-alpha-Methylbenzyl isocyanate, 98%

CAS: 14649-03-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00002036 InChI Key: JJSCUXAFAJEQGB-QMMMGPOBSA-N Synonym: s---1-phenylethyl isocyanate,1s-1-isocyanatoethyl benzene,s---alpha-methylbenzyl isocyanate,benzene, 1s-1-isocyanatoethyl,isocyanic acid s---a-methylbenzyl ester,s-alpha-methylbenzyl isocyanate,s---1-phenylethylisocyanate,isocyanic acid s---alpha-methylbenzyl ester,isocyanic acid s---methylbenzyl ester,1-isocyanatoethyl benzene # PubChem CID: 2724173 IUPAC Name: [(1S)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=CC=C1)N=C=O

PubChem CID 2724173
CAS 14649-03-7
Molecular Weight (g/mol) 147.18
MDL Number MFCD00002036
SMILES CC(C1=CC=CC=C1)N=C=O
Synonym s---1-phenylethyl isocyanate,1s-1-isocyanatoethyl benzene,s---alpha-methylbenzyl isocyanate,benzene, 1s-1-isocyanatoethyl,isocyanic acid s---a-methylbenzyl ester,s-alpha-methylbenzyl isocyanate,s---1-phenylethylisocyanate,isocyanic acid s---alpha-methylbenzyl ester,isocyanic acid s---methylbenzyl ester,1-isocyanatoethyl benzene #
IUPAC Name [(1S)-1-isocyanatoethyl]benzene
InChI Key JJSCUXAFAJEQGB-QMMMGPOBSA-N
Molecular Formula C9H9NO
6

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
7

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
8

2-Chloroethyl isocyanate, 98%

CAS: 1943-83-5 Molecular Formula: C3H4ClNO Molecular Weight (g/mol): 105.52 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) 105.52
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
9

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
10

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
11

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
12

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
13

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
14

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
15

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