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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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Physical Form

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1 – 15 of 62 results
1

1,6-Diisocyanatohexane, 98+%

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
2

4-Nitrophenyl isocyanate, 97%

CAS: 100-28-7 Molecular Formula: C7H4N2O3 Molecular Weight (g/mol): 164.12 MDL Number: MFCD00007306 InChI Key: GFNKTLQTQSALEJ-UHFFFAOYSA-N Synonym: 4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate PubChem CID: 66012 IUPAC Name: 1-isocyanato-4-nitrobenzene SMILES: C1=CC(=CC=C1N=C=O)[N+](=O)[O-]

PubChem CID 66012
CAS 100-28-7
Molecular Weight (g/mol) 164.12
MDL Number MFCD00007306
SMILES C1=CC(=CC=C1N=C=O)[N+](=O)[O-]
Synonym 4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate
IUPAC Name 1-isocyanato-4-nitrobenzene
InChI Key GFNKTLQTQSALEJ-UHFFFAOYSA-N
Molecular Formula C7H4N2O3
3

trans-1,4-Cyclohexane diisocyanate, 97%

CAS: 7517-76-2 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00074787 InChI Key: CDMDQYCEEKCBGR-UHFFFAOYSA-N Synonym: trans-1,4-diisocyanatocyclohexane,trans-1,4-cyclohexane diisocyanate,trans-1,4-cyclohexanediisocyanate,1,4-cyclohexane diisocyanate,cyclohexane, 1,4-diisocyanato,cyclohexane, 1,4-diisocyanato-, trans,cyclohexane-1,4-diisocyanate,trans-1,4-cyclohexyleneisocyanate,1,4-cyclohexyl di-isocyanate,cis-1,4-cyclohexylenediisocyanate PubChem CID: 17367 IUPAC Name: 1,4-diisocyanatocyclohexane SMILES: C1CC(CCC1N=C=O)N=C=O

PubChem CID 17367
CAS 7517-76-2
Molecular Weight (g/mol) 166.18
MDL Number MFCD00074787
SMILES C1CC(CCC1N=C=O)N=C=O
Synonym trans-1,4-diisocyanatocyclohexane,trans-1,4-cyclohexane diisocyanate,trans-1,4-cyclohexanediisocyanate,1,4-cyclohexane diisocyanate,cyclohexane, 1,4-diisocyanato,cyclohexane, 1,4-diisocyanato-, trans,cyclohexane-1,4-diisocyanate,trans-1,4-cyclohexyleneisocyanate,1,4-cyclohexyl di-isocyanate,cis-1,4-cyclohexylenediisocyanate
IUPAC Name 1,4-diisocyanatocyclohexane
InChI Key CDMDQYCEEKCBGR-UHFFFAOYSA-N
Molecular Formula C8H10N2O2
4

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
5

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
6

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
7

4-Ethylphenyl isocyanate, 98%

CAS: 23138-50-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00013881 InChI Key: FWPYUSLQCQDLJR-UHFFFAOYSA-N PubChem CID: 90007 IUPAC Name: 1-ethyl-4-isocyanatobenzene SMILES: CCC1=CC=C(C=C1)N=C=O

PubChem CID 90007
CAS 23138-50-3
Molecular Weight (g/mol) 147.177
MDL Number MFCD00013881
SMILES CCC1=CC=C(C=C1)N=C=O
IUPAC Name 1-ethyl-4-isocyanatobenzene
InChI Key FWPYUSLQCQDLJR-UHFFFAOYSA-N
Molecular Formula C9H9NO
8

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
9

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
10

4-n-Butoxyphenyl isocyanate, 98%

CAS: 28439-86-3 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00037042 InChI Key: ASFIDVOMDQBCNP-UHFFFAOYSA-N Synonym: 4-n-butoxyphenyl isocyanate,4-butoxyphenyl isocyanate,benzene, 1-butoxy-4-isocyanato,1-butoxy-4-isocyanato-benzene,pubchem16232,4-butoxybenzenisocyanate PubChem CID: 2769629 IUPAC Name: 1-butoxy-4-isocyanatobenzene SMILES: CCCCOC1=CC=C(C=C1)N=C=O

PubChem CID 2769629
CAS 28439-86-3
Molecular Weight (g/mol) 191.23
MDL Number MFCD00037042
SMILES CCCCOC1=CC=C(C=C1)N=C=O
Synonym 4-n-butoxyphenyl isocyanate,4-butoxyphenyl isocyanate,benzene, 1-butoxy-4-isocyanato,1-butoxy-4-isocyanato-benzene,pubchem16232,4-butoxybenzenisocyanate
IUPAC Name 1-butoxy-4-isocyanatobenzene
InChI Key ASFIDVOMDQBCNP-UHFFFAOYSA-N
Molecular Formula C11H13NO2
11

Allyl isocyanate, 96%

CAS: 1476-23-9 Molecular Formula: C4H5NO Molecular Weight (g/mol): 83.09 MDL Number: MFCD00002044 InChI Key: HXBPYFMVGFDZFT-UHFFFAOYSA-N PubChem CID: 15123 IUPAC Name: 3-isocyanatoprop-1-ene SMILES: C=CCN=C=O

PubChem CID 15123
CAS 1476-23-9
Molecular Weight (g/mol) 83.09
MDL Number MFCD00002044
SMILES C=CCN=C=O
IUPAC Name 3-isocyanatoprop-1-ene
InChI Key HXBPYFMVGFDZFT-UHFFFAOYSA-N
Molecular Formula C4H5NO
12

1-Octyl isocyanate, 97%, Thermo Scientific Chemicals

CAS: 3158-26-7 Molecular Formula: C9H17NO Molecular Weight (g/mol): 155.241 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) 155.241
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
13

(S)-(+)-1-(1-Naphthyl)ethyl isocyanate, 95%

CAS: 73671-79-1 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.24 MDL Number: MFCD00064181 InChI Key: GONOHGQPZFXJOJ-UHFFFAOYNA-N Synonym: s-+-1-1-naphthyl ethyl isocyanate,1-1s-1-isocyanatoethyl naphthalene,s-nei,s-1-1-naphthyl ethyl isocyanate,isocyanic acid s-+-1-1-naphthyl ethyl ester,1-1-isocyanatoethyl naphthalene #,pubchem8101,s-+-1-naphthyl ethyl isocyanate,s--1-1-naphthyl ethyl isocyanate,s-+-1-1-naphthyl ethylisocyanate PubChem CID: 7023510 IUPAC Name: 1-[(1S)-1-isocyanatoethyl]naphthalene SMILES: CC(N=C=O)C1=C2C=CC=CC2=CC=C1

PubChem CID 7023510
CAS 73671-79-1
Molecular Weight (g/mol) 197.24
MDL Number MFCD00064181
SMILES CC(N=C=O)C1=C2C=CC=CC2=CC=C1
Synonym s-+-1-1-naphthyl ethyl isocyanate,1-1s-1-isocyanatoethyl naphthalene,s-nei,s-1-1-naphthyl ethyl isocyanate,isocyanic acid s-+-1-1-naphthyl ethyl ester,1-1-isocyanatoethyl naphthalene #,pubchem8101,s-+-1-naphthyl ethyl isocyanate,s--1-1-naphthyl ethyl isocyanate,s-+-1-1-naphthyl ethylisocyanate
IUPAC Name 1-[(1S)-1-isocyanatoethyl]naphthalene
InChI Key GONOHGQPZFXJOJ-UHFFFAOYNA-N
Molecular Formula C13H11NO
14

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
15

Ethyl isocyanate, 98%

Boiling Point 60°C to 61°C
Percent Purity 98%
Physical Form Liquid