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

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

(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

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

Trichloroacetyl isocyanate, NMR grade, ACROS Organics™

CAS: 3019-71-4 Molecular Formula: C3Cl3NO2 Molecular Weight (g/mol): 188.4 MDL Number: MFCD00002033 InChI Key: GRNOZCCBOFGDCL-UHFFFAOYSA-N Synonym: trichloroacetyl isocyanate, acetyl isocyanate, trichloro, trichloroacetylisocyanate, isocyanic acid trichloroacetyl ester, unii-qxv1p5j6jl, qxv1p5j6jl, acetyl isocyanate, 2,2,2-trichloro, 2,2,2-trichloroethanecarbonyl isocyanate, trichloroethanecarbonyl isocyanate, trichloroacetyl isocyanate, nmr grade PubChem CID: 76400 IUPAC Name: 2,2,2-trichloroacetyl isocyanate SMILES: C(=NC(=O)C(Cl)(Cl)Cl)=O

Alfa Aesar™ 1-Naphthyl isocyanate, 98%

CAS: 86-84-0 Molecular Formula: C11H7NO Molecular Weight (g/mol): 169.183 MDL Number: MFCD00003881 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

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

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

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

Alfa Aesar™ 1-Dodecyl isocyanate, 98%

CAS: 4202-38-4 Molecular Formula: C13H25NO Molecular Weight (g/mol): 211.349 MDL Number: MFCD00041744 InChI Key: YIDSTEJLDQMWBR-UHFFFAOYSA-N Synonym: dodecyl isocyanate, dodecane, 1-isocyanato, dodecylisocyanate, 1-dodecyl isocyanate, n-dodecyl isocyanate, acmc-209jmx, isocyanic acid dodecyl ester PubChem CID: 77873 IUPAC Name: 1-isocyanatododecane SMILES: CCCCCCCCCCCCN=C=O

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

2,4-Dimethoxyphenyl isocyanate, 97%, ACROS Organics™

CAS: 84370-87-6 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002005 InChI Key: WRAZHLRMDRTLOZ-UHFFFAOYSA-N Synonym: 2,4-dimethoxyphenyl isocyanate, 2,4-dimethoxyphenylisocyanate, benzene, 1-isocyanato-2,4-dimethoxy, 2,4-dimethoxybenzenisocyanate, acmc-20aocl, 1-isocyanato-2,4-dimethoxy-benzene, #, benzene,1-isocyanato-2,4-dimethoxy, 1-isocyanato-2,4-bis methyloxy benzene PubChem CID: 601637 IUPAC Name: 1-isocyanato-2,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)N=C=O)OC

Alfa Aesar™ o-Tolyl isocyanate, 98%

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

4-Nitrophenyl isocyanate, 98%, ACROS Organics™

CAS: 100-28-7 Molecular Formula: C7H4N2O3 Molecular Weight (g/mol): 164.12 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-]

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™ Allyl isocyanate, 98%

CAS: 1476-23-9 Molecular Formula: C4H5NO Molecular Weight (g/mol): 83.09 MDL Number: MFCD00002044 InChI Key: HXBPYFMVGFDZFT-UHFFFAOYSA-N Synonym: allyl isocyanate, 1-propene, 3-isocyanato, 3-isocyanato-1-propene, propene, 3-isocyanato, allylisocyanate, isocyanic acid, allyl ester, 1-propene,3-isocyanato, prop-2-enisocyanate, 2-propenyl isocyanate, isocyanicacid,allylester PubChem CID: 15123 IUPAC Name: 3-isocyanatoprop-1-ene SMILES: C=CCN=C=O

4-Methoxybenzyl isocyanate, 99%, ACROS Organics™

CAS: 56651-60-6 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00673064 InChI Key: QRBHVARIMDDOOV-UHFFFAOYSA-N Synonym: 4-methoxybenzyl isocyanate, 1-isocyanatomethyl-4-methoxybenzene, p-methoxybenzyl isocyanate, 4-methoxybenzylisocyanate, isocyanic acid, p-methoxybenzyl, benzene, 1-isocyanatomethyl-4-methoxy, 4-methoxyphenyl methanisocyanate, acmc-20amf5, p-methoxybenzylisocyanate, p-metoxybenzyl-isocyanate PubChem CID: 187910 IUPAC Name: 1-(isocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CN=C=O

2-Nitrophenyl isocyanate, 99%, ACROS Organics™

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-]

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

1-Isocyanato-2-(phenoxymethyl)benzene, 97%, Maybridge

CAS: 910037-00-2 Molecular Formula: C14H11NO2 Molecular Weight (g/mol): 225.247 MDL Number: MFCD09025892 InChI Key: FGEXXDXHIUWRRS-UHFFFAOYSA-N Synonym: 1-isocyanato-2-phenoxymethyl benzene, 2-phenoxymethyl benzenisocyanate PubChem CID: 18525894 IUPAC Name: 1-isocyanato-2-(phenoxymethyl)benzene SMILES: C1=CC=C(C=C1)OCC2=CC=CC=C2N=C=O

Alfa Aesar™ 1-Octyl isocyanate, 97%

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

Alfa Aesar™ Trichloroacetyl isocyanate, 97%

CAS: 3019-71-4 Molecular Formula: C3Cl3NO2 Molecular Weight (g/mol): 188.388 MDL Number: MFCD00002033 InChI Key: GRNOZCCBOFGDCL-UHFFFAOYSA-N Synonym: trichloroacetyl isocyanate, acetyl isocyanate, trichloro, trichloroacetylisocyanate, isocyanic acid trichloroacetyl ester, unii-qxv1p5j6jl, qxv1p5j6jl, acetyl isocyanate, 2,2,2-trichloro, 2,2,2-trichloroethanecarbonyl isocyanate, trichloroethanecarbonyl isocyanate, trichloroacetyl isocyanate, nmr grade PubChem CID: 76400 IUPAC Name: 2,2,2-trichloroacetyl isocyanate SMILES: C(=NC(=O)C(Cl)(Cl)Cl)=O

Phenethyl isocyanate, 99%, Acros Organics

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

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

  spinner