Isocyanates

Alfa Aesar™ 2,4,6-Trimethylphenyl isocyanate, 98%

CAS: 2958-62-5 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00019909 InChI Key: HJHZRZFONUPQAA-UHFFFAOYSA-N Synonym: 2,4,6-trimethylphenyl isocyanate, mesityl isocyanate, 2,4,6-trimethylphenylisocyanate, acmc-1ckns, 2,4,6-trimethylbenzenisocyanate, 2-isocyanato-1,3,5-trimethyl-benzene, # PubChem CID: 595239 IUPAC Name: 2-isocyanato-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)N=C=O)C

4,4'-Methylenebis(cyclohexyl isocyanate), 90%, mixture of isomers, AcroSeal™, ACROS Organics™

CAS: 5124-30-1 Molecular Formula: C15H22N2O2 Molecular Weight (g/mol): 262.35 InChI Key: KORSJDCBLAPZEQ-UHFFFAOYSA-N Synonym: hydrogenated mdi, hylene w, bis 4-isocyanatocyclohexyl methane, 4,4'-diisocyanatodicyclohexylmethane, methylene bis 4-cyclohexylisocyanate, dicyclohexylmethane 4,4'-diisocyanate, dicyclohexylmethane-4,4'-diisocyanate, methylene bis-4-cyclohexylisocyanate, nacconate h 12, cyclohexane, 1,1'-methylenebis 4-isocyanato PubChem CID: 21202 ChEBI: CHEBI:53216 IUPAC Name: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane SMILES: C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O

1,6-Diisocyanatohexane, 99+%, ACROS Organics™

CAS: 822-06-0 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.19 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: C(CCCN=C=O)CCN=C=O

2,3-Dihydro-1-benzofuran-5-yl isocyanate, 97%, Maybridge™

CAS: 215162-92-8 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD02677718 InChI Key: WAIKTAFMGLVRJC-UHFFFAOYSA-N Synonym: 2,3-dihydro-1-benzofuran-5-yl isocyanate, 5-isocyanato-2,3-dihydrobenzofuran, 2,3-dihydro-1-benzofuran-5-ylisocyanate, 2,3-dihydrobenzo b furan-5-isocyanate, benzofuran,2,3-dihydro-5-isocyanato, 2,3-dihydrobenzofuran-5-yl isocyanate, 2,3-dihydro-5-isocyanatobenzo b furan, 5-isocyanato-2,3-dihydrobenzo b furan, 2,3-dihydro-5-isocyanato-1-benzofuran, 2,3-dihydro-1-benzofuran-5-yl-isocyanate PubChem CID: 2776156 IUPAC Name: 5-isocyanato-2,3-dihydro-1-benzofuran SMILES: C1COC2=C1C=C(C=C2)N=C=O

Cyclohexyl Isocyanate, 98+%, ACROS Organics™

CAS: 3173-53-3 Molecular Formula: C7H11NO Molecular Weight (g/mol): 125.171 MDL Number: MFCD00003840 InChI Key: KQWGXHWJMSMDJJ-UHFFFAOYSA-N Synonym: cyclohexyl isocyanate, cyclohexylisocyanate, cyclohexane, isocyanato, isocyanato-cyclohexane, isocyanic acid, cyclohexyl ester, unii-t699595blw, isocyanic acid cyclohexyl ester, chi, cyclohexanisocyanate, cyclohexyl-isocyanate PubChem CID: 18502 ChEBI: CHEBI:136604 IUPAC Name: isocyanatocyclohexane SMILES: C1CCC(CC1)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

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

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

2-Isocyanatobenzonitrile, 97%, Maybridge™

CAS: 42066-86-4 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.133 InChI Key: FQLNVWAFXQUXGW-UHFFFAOYSA-N Synonym: 2-cyanophenyl isocyanate, benzonitrile,2-isocyanato, 2-isocyanato-benzonitrile, 2-isocyanatobenzenecarbonitrile, 2-cyanophenylisocyanate, benzonitrile, 2-isocyanato, acmc-1ap1b PubChem CID: 2735873 IUPAC Name: 2-isocyanatobenzonitrile SMILES: C1=CC=C(C(=C1)C#N)N=C=O

3-Phenylpropyl isocyanate, 97%, ACROS Organics™

CAS: 68664-23-3 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.21 InChI Key: WPABAKMRZCBXTO-UHFFFAOYSA-N Synonym: 3-phenylpropyl isocyanate, 3-phenylpropylisocyanate, 3-isocyanatopropyl benzene, phenylpropylisocyanate, acmc-20amyq, 3-isocyanatopropyl-benzene, 1-3-isocyanatopropyl benzene, 3-isocyanato-propyl-benzene, benzene, 3-isocyanatopropyl PubChem CID: 3427666 IUPAC Name: 3-isocyanatopropylbenzene SMILES: C1=CC=C(C=C1)CCCN=C=O

Benzoyl isocyanate, 90%, Tech., ACROS Organics™

CAS: 4461-33-0 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00002032 InChI Key: LURYMYITPCOQAU-UHFFFAOYSA-N Synonym: benzoylisocyanate, methanone, 1-phenyl-1-isocyanato, oxophenylmethanisocyanate, benzoyl isocynate, phconco, acmc-20alpt, pubchem7575, isocyanato phenyl methanone, isocyanato-phenyl-methanone, 9ci PubChem CID: 78210 IUPAC Name: benzoyl isocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=O

Alfa Aesar™ 4-(n-Butoxycarbonyl)phenyl isocyanate, 99%

CAS: 102561-47-7 Molecular Formula: C12H13NO3 Molecular Weight (g/mol): 219.24 MDL Number: MFCD00037043 InChI Key: PVCGQSQNUXNTNA-UHFFFAOYSA-N Synonym: 4-n-butoxycarbonyl phenyl isocyanate, acmc-20e5xd, 4-carbobutoxy phenyl isocyanate, butyl 4-isocyanatobenzoate, 4-n-butoxycarbonyl phenylisocyanate, 4-carbobutoxyphenyl isocyanate, 4-n-carbobutoxyphenyl isocyanate, benzoic acid,4-isocyanato-, butyl ester, benzoic acid, 4-isocyanato-, butyl ester 9ci, 4-n-butoxycarbonyl phenyl isocyanate; 4-carbobutoxy phenyl isocyanate PubChem CID: 4112112 IUPAC Name: butyl 4-isocyanatobenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)N=C=O

5-(3-Isocyanatophenyl)-1-methyl-1H-pyrazole, 97%, Maybridge™

CAS: 941716-86-5 Molecular Formula: C11H9N3O Molecular Weight (g/mol): 199.213 MDL Number: MFCD09817502 InChI Key: ZFRFBJVFEQIMLM-UHFFFAOYSA-N Synonym: 5-3-isocyanatophenyl-1-methyl-1h-pyrazole, 5-3-isocyanatophenyl-1-methylpyrazole, 3-1-methylpyrazol-5-yl benzenisocyanate, 3-1-methyl-1h-pyrazol-5-yl phenylisocyanate PubChem CID: 24229624 IUPAC Name: 5-(3-isocyanatophenyl)-1-methylpyrazole SMILES: CN1C(=CC=N1)C2=CC(=CC=C2)N=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™ 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

Alfa Aesar™ 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 Synonym: 4-ethylphenyl isocyanate, p-ethylphenyl isocyanate, 4-ethylphenylisocyanate, benzene, 1-ethyl-4-isocyanato, benzene,1-ethyl-4-isocyanato, 4-ethylbenzenisocyanate, acmc-1cpzx, 4-ethyl phenylisocyanate, 4-ethyl-phenyl-isocyanate, 1-ethyl-4-isocyanato-benzene PubChem CID: 90007 IUPAC Name: 1-ethyl-4-isocyanatobenzene SMILES: CCC1=CC=C(C=C1)N=C=O

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

Alfa Aesar™ 2-Ethoxyphenyl isocyanate, 97%

CAS: 5395-71-1 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 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

Phenyl isocyanate, 99%, ACROS Organics™

CAS: 103-71-9 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00001994 InChI Key: DGTNSSLYPYDJGL-UHFFFAOYSA-N Synonym: phenyl isocyanate, phenylcarbimide, carbanil, phenyl carbonimide, benzene, isocyanato, phenylisocyanate, isocyanic acid, phenyl ester, mondur p, phnco, fenylisokyanat PubChem CID: 7672 ChEBI: CHEBI:53806 IUPAC Name: isocyanatobenzene SMILES: C1=CC=C(C=C1)N=C=O

Alfa Aesar™ 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

Alfa Aesar™ 2,6-Diethylphenyl isocyanate, 98+%

CAS: 20458-99-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00019912 InChI Key: AUSRFKVPUCQCCN-UHFFFAOYSA-N Synonym: 2,6-diethylphenyl isocyanate, 2,6-diethylphenylisocyanate, 1,3-diethyl-2-isocyanato-benzene, benzene, 1,3-diethyl-2-isocyanato, acmc-1co7s, 2,6-diethylbenzenisocyanate, benzene,1,3-diethyl-2-isocyanato PubChem CID: 5153183 IUPAC Name: 1,3-diethyl-2-isocyanatobenzene SMILES: CCC1=C(C(=CC=C1)CC)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

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

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

CAS: 73671-79-1 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.237 MDL Number: MFCD00064181 InChI Key: GONOHGQPZFXJOJ-JTQLQIEISA-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(C1=CC=CC2=CC=CC=C21)N=C=O

o-Tolyl isocyanate, 99+%, ACROS Organics™

CAS: 614-68-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002009 InChI Key: VAYMIYBJLRRIFR-UHFFFAOYSA-N Synonym: o-tolyl isocyanate, 2-methylphenyl isocyanate, 2-tolyl isocyanate, o-methylphenyl isocyanate, o-toluene isocyanate, benzene, 1-isocyanato-2-methyl, 2-methylphenylisocyanate, tolyl isocyanate, isocyanic acid, o-tolyl ester, o-tolylisocyanate PubChem CID: 69194 ChEBI: CHEBI:60099 IUPAC Name: 1-isocyanato-2-methylbenzene SMILES: CC1=CC=CC=C1N=C=O

Alfa Aesar™ 4-Ethoxyphenyl isocyanate, 97%

CAS: 32459-62-4 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 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

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™ 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-]

  spinner