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

(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

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

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

4-(4-Isocyanatophenoxy)tetrahydropyran, 97%, Maybridge™

CAS: 892501-94-9 Molecular Formula: C12H13NO3 Molecular Weight (g/mol): 219.24 MDL Number: MFCD09702366 InChI Key: ZGNHUEWFJQLPDN-UHFFFAOYSA-N Synonym: 4-4-isocyanatophenoxy oxane, 4-4-isocyanatophenoxy tetrahydropyran, 4-4-isocyanatophenoxy tetrahydro-2h-pyran, 2h-pyran,tetrahydro-4-4-isocyanatophenoxy, 4-tetrahydro-2h-pyran-4-yl oxy phenyl isocyanate, 1-isocyanato-4-tetrahydro-2h-pyran-4-yl oxy benzene, 4-2h-3,4,5,6-tetrahydropyran-4-yloxy benzenisocyanate PubChem CID: 24229521 IUPAC Name: 4-(4-isocyanatophenoxy)oxane SMILES: C1COCCC1OC2=CC=C(C=C2)N=C=O

Hexyl isocyanate, 99%, ACROS Organics™

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

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-]

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-]

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

Benzyl isocyanate, 99+%, ACROS Organics™

CAS: 3173-56-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00009701 InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N Synonym: benzyl isocyanate, isocyanatomethyl benzene, benzylisocyanate, isocyanic acid benzyl ester, benzene, isocyanatomethyl, 1-isocyanatomethyl benzene, phenylmethyl isocyanate, unii-8i2li357gq, phenylmethanisocyanate PubChem CID: 76639 IUPAC Name: isocyanatomethylbenzene SMILES: O=C=NCC1=CC=CC=C1

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

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

Alfa Aesar™ Ethyl 3-isocyanatopropionate, 98%

CAS: 5100-34-5 Molecular Formula: C6H9NO3 Molecular Weight (g/mol): 143.14 MDL Number: MFCD00078461 InChI Key: XBSGYVHOINMTIM-UHFFFAOYSA-N Synonym: ethyl 3-isocyanatopropionate, propanoic acid, 3-isocyanato-, ethyl ester, 3-isocyanatopropionic acid ethyl ester, ethyl n-oxomethylidene-beta-alaninate, ethyl n-oxomethylene-beta-alaninate, acmc-20akzk, ethyl-3-isocyanatopropionate, ethyl 3-isocyanato-propionate, ethyl 3-isocyanatopropion-ate, ethyl-3-isocyanato-propionate PubChem CID: 2733373 IUPAC Name: ethyl 3-isocyanatopropanoate SMILES: CCOC(=O)CCN=C=O

Alfa Aesar™ 2-Chloroethyl isocyanate, 97%

CAS: 1943-83-5 Molecular Formula: C3H4ClNO Molecular Weight (g/mol): 105.521 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

Alfa Aesar™ 3,4-Dichlorophenyl isocyanate, 97%

CAS: 102-36-3 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.007 MDL Number: MFCD00002017 InChI Key: MFUVCHZWGSJKEQ-UHFFFAOYSA-N Synonym: 3,4-dichlorophenyl isocyanate, benzene, 1,2-dichloro-4-isocyanato, 3,4-dichlorfenylisokyanat, isocyanic acid 3,4-dichlorophenyl ester, 3,4-dichlorophenylisocyanate, unii-ozw0b7f1du, 3,4-dichlorphenylisocyanate, isocyanic acid, 3,4-dichlorophenyl ester, 3,4-dichlorfenylisokyanat czech, ozw0b7f1du PubChem CID: 7607 IUPAC Name: 1,2-dichloro-4-isocyanatobenzene SMILES: C1=CC(=C(C=C1N=C=O)Cl)Cl

Alfa Aesar™ (S)-(-)-1-Phenylethyl isocyanate, 98%

CAS: 14649-03-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 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™ 2,3-Dichlorophenyl isocyanate, 97%

CAS: 41195-90-8 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.01 MDL Number: MFCD00002000 InChI Key: FYWJWWMKCARWQG-UHFFFAOYSA-N Synonym: 2,3-dichlorophenyl isocyanate, 2,3-dichlorophenylisocyanate, benzene, 1,2-dichloro-3-isocyanato, 1,2-dichloro-3-isocyanato-benzene, 2,3-dichlorobenzenisocyanate, benzene, dichloroisocyanato, dichlorphenylisocyanate, dichlorophenyl isocyanate, acmc-1ap4f, 2,3dichlorophenylisocyanate PubChem CID: 33050 IUPAC Name: 1,2-dichloro-3-isocyanatobenzene SMILES: ClC1=CC=CC(N=C=O)=C1Cl

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

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: O=C=NC12CC3CC(CC(C3)C1)C2

2-Chloroethyl isocyanate, 98%, ACROS Organics™

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

Alfa Aesar™ (R)-(-)-1-(1-Naphthyl)ethyl isocyanate, 97%

CAS: 42340-98-7 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.24 MDL Number: MFCD00004015 InChI Key: GONOHGQPZFXJOJ-SNVBAGLBSA-N Synonym: r---1-1-naphthyl ethyl isocyanate, isocyanic acid r---1-1-naphthyl ethyl ester, 1-1r-1-isocyanatoethyl naphthalene, naphthalene,1-1r-1-isocyanatoethyl, 1r-1-naphthylethanisocyanate, 1-1-isocyanatoethyl naphthalene #, pubchem8100, r-nei, r-1-1-naphthyl ethyl isocyanate PubChem CID: 170633 IUPAC Name: 1-[(1R)-1-isocyanatoethyl]naphthalene SMILES: C[C@@H](N=C=O)C1=C2C=CC=CC2=CC=C1

tert-Butyl isocyanate, 97%, ACROS Organics™

CAS: 1609-86-5 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.133 MDL Number: MFCD00002035 InChI Key: MGOLNIXAPIAKFM-UHFFFAOYSA-N Synonym: tert-butyl isocyanate, tert-butylisocyanate, propane, 2-isocyanato-2-methyl, t-butyl isocyanate, t-butylisocyanate, unii-2rhq1bs36d, 2-isocyanato-2-methyl-propane, isocyanic acid, tert-butyl ester, 2rhq1bs36d, 1,1-dimethylethyl isocyanate PubChem CID: 62412 IUPAC Name: 2-isocyanato-2-methylpropane SMILES: CC(C)(C)N=C=O

Alfa Aesar™ trans-1,4-Cyclohexane diisocyanate, 97%

CAS: 7517-76-2 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00074787 InChI Key: CDMDQYCEEKCBGR-UHFFFAOYSA-N Synonym: trans-1,4-diisocyanatocyclohexane, trans-1,4-cyclohexane diisocyanate, trans-1,4-cyclohexanediisocyanate, 1,4-cyclohexane diisocyanate, cyclohexane, 1,4-diisocyanato, cyclohexane, 1,4-diisocyanato-, trans, cyclohexane-1,4-diisocyanate, trans-1,4-cyclohexyleneisocyanate, 1,4-cyclohexyl di-isocyanate, cis-1,4-cyclohexylenediisocyanate PubChem CID: 17367 IUPAC Name: 1,4-diisocyanatocyclohexane SMILES: C1CC(CCC1N=C=O)N=C=O

3-Isocyanato-5-methyl-2-phenylfuran, 97%, Maybridge™

CAS: 898289-18-4 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.209 MDL Number: MFCD09025851 InChI Key: GDLFJANXKGIZKA-UHFFFAOYSA-N Synonym: 5-methyl-2-phenylfuran-3-isocyanate, furan,3-isocyanato-5-methyl-2-phenyl PubChem CID: 18525836 IUPAC Name: 3-isocyanato-5-methyl-2-phenylfuran SMILES: CC1=CC(=C(O1)C2=CC=CC=C2)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

Alfa Aesar™ 3-(Ethoxycarbonyl)phenyl isocyanate, 97%

CAS: 67531-68-4 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD00013865 InChI Key: UPXGGIRFDZENRD-UHFFFAOYSA-N Synonym: 3-ethoxycarbonyl phenyl isocyanate, 3-carbethoxyphenyl isocyanate, 3-ethoxycarbonylphenyl isocyanate, 3-ethoxycarbonyl phenylisocyanate, 3-isocyanatobenzoic acid ethyl ester, 3-carboethoxyphenyl isocyanate, #, ethyl 3-isocyanatobenzoate, 3-ethoxycarbonyl phenylisothiocyanate, 3-isocyanato-benzoic acid ethyl ester PubChem CID: 589806 IUPAC Name: ethyl 3-isocyanatobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)N=C=O

1-Isocyanato-3-(phenoxymethyl)benzene, 97%, Maybridge™

CAS: 71219-80-2 Molecular Formula: C14H11NO2 Molecular Weight (g/mol): 225.25 MDL Number: MFCD09025914 InChI Key: CXYJFMVKSSTBDJ-UHFFFAOYSA-N Synonym: 1-isocyanato-3-phenoxymethyl benzene, 3-phenoxymethyl benzenisocyanate, benzene,1-isocyanato-3-phenoxymethyl PubChem CID: 18525913 IUPAC Name: 1-isocyanato-3-(phenoxymethyl)benzene SMILES: O=C=NC1=CC=CC(COC2=CC=CC=C2)=C1

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