Isocyanates
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
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
3-Nitrophenyl isocyanate, 97%, Thermo Scientific Chemicals
CAS: 3320-87-4 Molecular Formula: C7H4N2O3 Molecular Weight (g/mol): 164.12 MDL Number: MFCD00007220 InChI Key: GFFGYTMCNVMFAJ-UHFFFAOYSA-N Synonym: 3-nitrophenyl isocyanate,m-nitrophenyl isocyanate,benzene, 1-isocyanato-3-nitro,3-nitrophenylisocyanate,isocyanic acid, m-nitrophenyl ester,3-nitrobenzenisocyanate,m-nitrophenylisocyanate,3-nitropheny isocyanate,pubchem15729,acmc-1ckin PubChem CID: 76835 IUPAC Name: 1-isocyanato-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(=C1)N=C=O
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
Isophorone diisocyanate, mixture of isomers, 98%
CAS: 4098-71-9 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.29 MDL Number: MFCD00064956 InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYNA-N Synonym: isophorone diisocyanate,ipdi,isophorone diamine diisocyanate,5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane,3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate,cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl,3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate,ccris 6252,isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester,isophorone diisocyanate diisocyanates PubChem CID: 169132 ChEBI: CHEBI:53214 IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane SMILES: CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O
p-Tolyl isocyanate, 99%
CAS: 622-58-2 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 InChI Key: MGYGFNQQGAQEON-UHFFFAOYSA-N Synonym: p-tolyl isocyanate,4-tolyl isocyanate,4-methylphenyl isocyanate,p-isocyanatotoluene,4-isocyanatotoluene,p-toluene isocyanate,p-methylphenyl isocyanate,benzene, 1-isocyanato-4-methyl,p-tolylisocyanate,1-isocyanato-4-methyl-benzene PubChem CID: 69325 ChEBI: CHEBI:53732 IUPAC Name: 1-isocyanato-4-methylbenzene SMILES: CC1=CC=C(C=C1)N=C=O
Isophorone diisocyanate, 98+%, mixture of isomers
CAS: 4098-71-9 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.29 MDL Number: MFCD00064956 InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYNA-N Synonym: isophorone diisocyanate,ipdi,isophorone diamine diisocyanate,5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane,3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate,cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl,3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate,ccris 6252,isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester,isophorone diisocyanate diisocyanates PubChem CID: 169132 ChEBI: CHEBI:53214 IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane SMILES: CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O
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
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
Ethoxycarbonyl isocyanate, 90%, tech.
CAS: 19617-43-7 Molecular Formula: C4H5NO3 Molecular Weight (g/mol): 115.09 InChI Key: VMVZGGPZNHFGKS-UHFFFAOYSA-N Synonym: ethoxycarbonyl isocyanate,ethyl isocyanatoformate,ethyl carbonisocyanatidate,ethyl n-carbonylcarbamate,ethoxycarbonylisocyanate,carbonisocyanatidic acid, ethyl ester,ethyl isocyanatooate,ethylisocyanatoformate,acmc-20al2o,carbonisocyanatidicacid,ethylester PubChem CID: 300166 IUPAC Name: ethyl N-(oxomethylidene)carbamate SMILES: CCOC(=O)N=C=O
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
3,5-Dichlorophenyl isocyanate, 96%
CAS: 34893-92-0 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.01 MDL Number: MFCD00013859 InChI Key: XEFUJGURFLOFAN-UHFFFAOYSA-N Synonym: 3,5-dichlorophenyl isocyanate,3,5-dichlorophenylisocyanate,benzene, 1,3-dichloro-5-isocyanato,3,5-dichlorophenyl isocyantae,1,3-dichloro-5-isocyanato-benzene,3,5-dichlorobenzenisocyanate,3,5dichlorophenyl isocyanate,acmc-1ai47,ksc490c1l,3,5-dichloro-phenylisocyanate PubChem CID: 94460 IUPAC Name: 1,3-dichloro-5-isocyanatobenzene SMILES: C1=C(C=C(C=C1Cl)Cl)N=C=O
Ethyl 3-isocyanatopropionate, 98%, Thermo Scientific™
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
(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