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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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Keyword Search:
1 – 15 of 113 results
1

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
2

(R)-(+)-α-Methylbenzyl isocyanate, ≥99.0% (sum of enantiomers, GC), MilliporeSigma™ Supelco™

MDL Number: MFCD00063015 Synonym: (R)-(+)-1-Phenylethyl isocyanate

MDL Number MFCD00063015
Synonym (R)-(+)-1-Phenylethyl isocyanate
3

(S)-(-)-α-Methylbenzyl isocyanate, ≥99.0% (sum of enantiomers, GC), MilliporeSigma™ Supelco™

MDL Number: MFCD00002036 Synonym: (S)-(-)-1-Phenylethyl isocyanate

MDL Number MFCD00002036
Synonym (S)-(-)-1-Phenylethyl isocyanate
4

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
6

(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
7

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
8

(R)-(+)-alpha-Methylbenzyl isocyanate, 98%

CAS: 33375-06-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00063015 InChI Key: JJSCUXAFAJEQGB-MRVPVSSYSA-N Synonym: r-+-1-phenylethyl isocyanate,1r-1-isocyanatoethyl benzene,r-+-alpha-methylbenzyl isocyanate,benzene, 1r-1-isocyanatoethyl,isocyanic acid r-+-1-phenylethyl ester,isocyanic acid r-+-alpha-methylbenzyl ester,isocyanic acid-r-+-methylbenzyl ester,1-isocyanatoethyl benzene #,+-alpha-methylbenzyl isocyanate,pubchem8096 PubChem CID: 7018262 IUPAC Name: [(1R)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=CC=C1)N=C=O

PubChem CID 7018262
CAS 33375-06-3
Molecular Weight (g/mol) 147.18
MDL Number MFCD00063015
SMILES CC(C1=CC=CC=C1)N=C=O
Synonym r-+-1-phenylethyl isocyanate,1r-1-isocyanatoethyl benzene,r-+-alpha-methylbenzyl isocyanate,benzene, 1r-1-isocyanatoethyl,isocyanic acid r-+-1-phenylethyl ester,isocyanic acid r-+-alpha-methylbenzyl ester,isocyanic acid-r-+-methylbenzyl ester,1-isocyanatoethyl benzene #,+-alpha-methylbenzyl isocyanate,pubchem8096
IUPAC Name [(1R)-1-isocyanatoethyl]benzene
InChI Key JJSCUXAFAJEQGB-MRVPVSSYSA-N
Molecular Formula C9H9NO
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-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
11

3-Cyanophenyl isocyanate, 97%

CAS: 16413-26-6 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.13 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) 144.13
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
12

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
13

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
14

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
15

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