Isocyanates

Alfa Aesar™ Isophorone diisocyanate, mixture of isomers, 98%

CAS: 4098-71-9 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.288 MDL Number: MFCD00064956 InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYSA-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(CC(CC(C1)(C)CN=C=O)N=C=O)C

Isophorone diisocyanate, 98%, ACROS Organics™

CAS: 4098-71-9 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.28 MDL Number: MFCD00064956 InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYSA-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(CC(CC(C1)(C)CN=C=O)N=C=O)C

4-Cyanophenyl isocyanate, 95%, ACROS Organics™

CAS: 40465-45-0 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.13 MDL Number: MFCD00037038 InChI Key: TVSXDZNUTPLDKY-UHFFFAOYSA-N Synonym: 4-cyanophenyl isocyanate, benzonitrile, 4-isocyanato, 4-cyanophenylisocyanate, p-cyanophenyl isocyanate, benzonitrile,4-isocyanato, 4-isocyanatobenzenecarbonitrile, 4-cyanophenylisocyanat, p-cyanophenylisocyanate, #, 1-cyano-4-isocyanato-benzene PubChem CID: 170380 IUPAC Name: 4-isocyanatobenzonitrile SMILES: C1=CC(=CC=C1C#N)N=C=O

(S)-(-)-α-Methylbenzyl isocyanate, 98%, ACROS Organics™

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

Alfa Aesar™ m-Tolyl isocyanate, 99%

CAS: 621-29-4 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002021 InChI Key: CPPGZWWUPFWALU-UHFFFAOYSA-N Synonym: m-tolyl isocyanate, benzene, 1-isocyanato-3-methyl, meta-tolyl isocyanate, m-tolylisocyanate, m-isocyanatotoluene, 3-methylphenyl isocyanate, 3-tolyl isocyanate, 3-methylphenylisocyanate, 1-isocyanato-3-methyl-benzene, m-methylphenyl isocyanate PubChem CID: 69303 IUPAC Name: 1-isocyanato-3-methylbenzene SMILES: CC1=CC(=CC=C1)N=C=O

Alfa Aesar™ 3,5-Dichlorophenyl isocyanate, 97%

CAS: 34893-92-0 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.007 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

p-Tolyl isocyanate, 99%, ACROS Organics™

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

Alfa Aesar™ 1,1,3,3-Tetramethylbutyl isocyanate, 98%

CAS: 1611-57-0 Molecular Formula: C9H17NO Molecular Weight (g/mol): 155.241 MDL Number: MFCD00209615 InChI Key: XOHBENIMDRFUIH-UHFFFAOYSA-N Synonym: 1,1,3,3-tetramethylbutyl isocyanate, tert-octyl isocyanate, 2-isocyanato-2,4,4-trimethyl-pentane, pentane, 2-isocyanato-2,4,4-trimethyl, acmc-1bnst, pentane,2-isocyanato-2,4,4-trimethyl, unavailable-see asdi_catno 500009647, 1,1,3,3-tetramethylbutyl isocyanate~2,4,4-trimethyl-2-pentyl isocyanate PubChem CID: 407498 IUPAC Name: 2-isocyanato-2,4,4-trimethylpentane SMILES: CC(C)(C)CC(C)(C)N=C=O

3,4-Dichlorobenzyl isocyanate, 98%, ACROS Organics™

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

Cyclopentyl isocyanate, 97%, ACROS Organics™

CAS: 4747-71-1 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD02093695 InChI Key: CZALJDQHONFVFU-UHFFFAOYSA-N Synonym: cyclopentyl isocyanate, cyclopentylisocyanate, cyclopentane, isocyanato, isocyanic acid cyclopentyl ester, isocyanato cyclopentane, isocyanato-cyclopentane, acmc-1aspa, ksc497s6f PubChem CID: 643500 IUPAC Name: isocyanatocyclopentane SMILES: C1CCC(C1)N=C=O

Alfa Aesar™ (R)-(+)-1-Phenylethyl isocyanate, 99%

CAS: 33375-06-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 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

3-Chloropropyl isocyanate, 96%, ACROS Organics™

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: C(CN=C=O)CCl

Alfa Aesar™ p-Tolyl isocyanate, 99%

CAS: 622-58-2 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002029 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

1-Adamantyl isocyanate, 98%, ACROS Organics™

CAS: 4411-25-0 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.25 MDL Number: MFCD00134405 InChI Key: VBHCPGFCIQDXGZ-UHFFFAOYSA-N Synonym: 1-adamantyl isocyanate, 1-isocyanato-adamantane, 1-isocyantoadamantane, 1-adamantylisocyanate, adamantanisocyanate, adamantyl isocyanate, pubchem8848, 1-adamantyl-isocyanate, 1-adamantanyl isocyanate, adamantane, 1-isocyanato PubChem CID: 2059995 IUPAC Name: 1-isocyanatoadamantane SMILES: C1C2CC3CC1CC(C2)(C3)N=C=O

3-Cyanophenyl isocyanate, 97%, ACROS Organics™

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

3,5-Dichlorophenyl isocyanate, 96%, ACROS Organics™

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

2-Methyl-5-phenyl-3-furyl isocyanate, Maybridge™

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

4-Biphenyl isocyanate, 97%, ACROS Organics™

CAS: 92-95-5 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.22 InChI Key: WIRPZDICFIIBRF-UHFFFAOYSA-N Synonym: 4-biphenylyl isocyanate, p-xenylcarbimide, 4-biphenyl isocyanate, 4-isocyanatobiphenyl, 4-phenylphenyl isocyanate, unii-b0zsp4upq4, 4-biphenylylisocyanate, b0zsp4upq4, p-diphenyl isocyanate, p-xenylcarbimide mi PubChem CID: 3612319 IUPAC Name: 1-isocyanato-4-phenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)N=C=O

4-(Trifluoromethoxy)phenyl isocyanate, 97%, Maybridge™

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

1,4-Diisocyanatobutane, 97%, ACROS Organics™

CAS: 4538-37-8 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00075559 InChI Key: OVBFMUAFNIIQAL-UHFFFAOYSA-N Synonym: 1,4-butanediisocyanate, tetramethylene diisocyanate, 1,4-disocyanatobutane, acmc-1afua, 1,4-diisocyanato-butane, butane-1,4-diisocyanate, #, butane,1,4-diisocyanato, 1,4-butanediyl diisocyanate, butane, 1,4-diisocyanato PubChem CID: 350453 IUPAC Name: 1,4-diisocyanatobutane SMILES: C(CCN=C=O)CN=C=O

1-Benzothiophen-5-yl isocyanate, 97%, Maybridge™

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

Alfa Aesar™ 2,5-Dichlorophenyl isocyanate, 97%

CAS: 5392-82-5 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.007 MDL Number: MFCD00002002 InChI Key: PEQMJVGRHNZPAM-UHFFFAOYSA-N Synonym: 2,5-dichlorophenyl isocyanate, benzene, 1,4-dichloro-2-isocyanato, 2,5-dichlorophenylisocyanate, isocyanic acid, 2,5-dichlorophenyl ester, isocyanic acid 2,5-dichlorophenyl ester, acmc-209laz, 2,5-dichlorobenzenisocyanate, benzene,4-dichloro-2-isocyanato, #, isocyanic acid,5-dichlorophenyl ester PubChem CID: 79360 IUPAC Name: 1,4-dichloro-2-isocyanatobenzene SMILES: C1=CC(=C(C=C1Cl)N=C=O)Cl

Alfa Aesar™ 2-Chloro-5-nitrophenyl isocyanate, 96%

CAS: 68622-16-2 Molecular Formula: C7H3ClN2O3 Molecular Weight (g/mol): 198.562 MDL Number: MFCD00037065 InChI Key: DZMSHKRHIIDOIZ-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrophenyl isocyanate, 2-chloro-5-nitrophenylisocyanate, 2-chloro-5-nitrobenzenisocyanate, 1-chloranyl-2-isocyanato-4-nitro-benzene, benzene, 1-chloro-2-isocyanato-4-nitro-9ci PubChem CID: 3602243 IUPAC Name: 1-chloro-2-isocyanato-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N=C=O)Cl

Ethoxycarbonyl isocyanate, 90%, tech., ACROS Organics™

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

Alfa Aesar™ 2,5-Dimethoxyphenyl isocyanate, 99%

CAS: 56309-62-7 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002006 InChI Key: XNQBFHMCUNRKPM-UHFFFAOYSA-N Synonym: 2,5-dimethoxyphenyl isocyanate, 2,5-dimethoxyphenylisocyanate, acmc-1az6v, 2,5-dimethoxybenzenisocyanate, 2-isocyanato-1,4-dimethoxy-benzene, benzene, 2-isocyanato-1,4-dimethoxy-9ci PubChem CID: 4178425 IUPAC Name: 2-isocyanato-1,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)OC)N=C=O

Alfa Aesar™ 2,4-Dichlorophenyl isocyanate, 96%

CAS: 2612-57-9 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.007 MDL Number: MFCD00002001 InChI Key: OLBJNSPBWLCTOT-UHFFFAOYSA-N Synonym: 2,4-dichlorophenyl isocyanate, 2,4-dichlorophenylisocyanate, benzene, 2,4-dichloro-1-isocyanato, 2,4-dichlorophenyl isocyantae, 2,4-dichlorobenzenisocyanate, acmc-1cg9n, 2,4-dichlorphenyl isocyanate, 2,4-dichloro phenyl isocyanate, # PubChem CID: 75789 IUPAC Name: 2,4-dichloro-1-isocyanatobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)N=C=O

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