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

(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

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

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

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

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

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

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™ 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

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

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

3,4-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

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-Chloro-4-nitrophenyl isocyanate, 97%

CAS: 40397-95-3 Molecular Formula: C7H3ClN2O3 Molecular Weight (g/mol): 198.562 MDL Number: MFCD00037063 InChI Key: POLDSAUWRJCSOK-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrophenyl isocyanate, 2-chloro-4-nitrophenylisocyanate, acmc-1ama4, 2-chloro-4-nitrobenzenisocyanate, 2-chloro-1-isocyanato-4-nitro-benzene, 2-chloranyl-1-isocyanato-4-nitro-benzene PubChem CID: 4614221 IUPAC Name: 2-chloro-1-isocyanato-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N=C=O

n-Propyl isocyanate, 99%, ACROS Organics™

CAS: 110-78-1 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.11 MDL Number: MFCD00002045 InChI Key: OQURWGJAWSLGQG-UHFFFAOYSA-N Synonym: propyl isocyanate, propane, 1-isocyanato, n-propyl isocyanate, 1-propyl isocyanate, propylisocyanate, isocyanic acid, propyl ester, m-propyl isocyanate, isocyanic acid propyl ester, 1-propylisocyanate, 1-isocyanato-propane PubChem CID: 61033 IUPAC Name: 1-isocyanatopropane SMILES: CCCN=C=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

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-]

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™ 3-Nitrophenyl isocyanate, 97%

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: C1=CC(=CC(=C1)[N+](=O)[O-])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™ 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™ 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™ 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

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