Isocyanates

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: 4,4'-diisocyanatodicyclohexylmethane 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

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: 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate 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

Octyl isocyanate 99%, ACROS Organics™

CAS: 3158-26-7 Molecular Formula: C9H17NO Molecular Weight (g/mol): 155.24 MDL Number: MFCD00013887 InChI Key: DYQFCTCUULUMTQ-UHFFFAOYSA-N Synonym: 1-isocyanato-octane PubChem CID: 76616 IUPAC Name: 1-isocyanatooctane SMILES: CCCCCCCCN=C=O

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: acmc-20al2o PubChem CID: 300166 IUPAC Name: ethyl N-(oxomethylidene)carbamate SMILES: CCOC(=O)N=C=O

Methyl-2-isocyanatobenzoate, 97%, ACROS Organics™

CAS: 1793-07-3 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 InChI Key: ATFKBWNEVZUSKC-UHFFFAOYSA-N Synonym: # PubChem CID: 519494 IUPAC Name: methyl 2-isocyanatobenzoate SMILES: COC(=O)C1=CC=CC=C1N=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: 1,6-hexamethylene diisocyanate PubChem CID: 13192 ChEBI: CHEBI:53578 IUPAC Name: 1,6-diisocyanatohexane SMILES: C(CCCN=C=O)CCN=C=O

Phenyl Isocyanate 99%, ACROS Organics™

CAS: 103-71-9 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.12 MDL Number: MFCD00001994 InChI Key: DGTNSSLYPYDJGL-UHFFFAOYSA-N Synonym: benzene, isocyanato PubChem CID: 7672 ChEBI: CHEBI:53806 IUPAC Name: isocyanatobenzene SMILES: C1=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: 1-ethyl-4-isocyanato-benzene PubChem CID: 90007 IUPAC Name: 1-ethyl-4-isocyanatobenzene SMILES: CCC1=CC=C(C=C1)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: 1-hexyl isocyanate PubChem CID: 75659 ChEBI: CHEBI:59058 IUPAC Name: 1-isocyanatohexane SMILES: CCCCCCN=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: # PubChem CID: 170380 IUPAC Name: 4-isocyanatobenzonitrile SMILES: C1=CC(=CC=C1C#N)N=C=O

3-Phenylpropyl isocyanate, 97%, Acros Organics™

CAS: 68664-23-3 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 InChI Key: WPABAKMRZCBXTO-UHFFFAOYSA-N Synonym: 1-3-isocyanatopropyl benzene PubChem CID: 3427666 IUPAC Name: 3-isocyanatopropylbenzene SMILES: C1=CC=C(C=C1)CCCN=C=O

Benzyl Isocyanate 99.0+%, TCI America™

CAS: 3173-56-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00009701 InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N Synonym: 1-isocyanatomethyl benzene PubChem CID: 76639 IUPAC Name: isocyanatomethylbenzene SMILES: C1=CC=C(C=C1)CN=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: 2,2,2-trichloroethanecarbonyl isocyanate PubChem CID: 76400 IUPAC Name: 2,2,2-trichloroacetyl isocyanate SMILES: C(=NC(=O)C(Cl)(Cl)Cl)=O

Alfa Aesar™ Phenyl isocyanate, 98+%

CAS: 103-71-9 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00001994 InChI Key: DGTNSSLYPYDJGL-UHFFFAOYSA-N Synonym: benzene, isocyanato PubChem CID: 7672 ChEBI: CHEBI:53806 IUPAC Name: isocyanatobenzene SMILES: C1=CC=C(C=C1)N=C=O

4-Nitrophenyl Isocyanate (contains varying amounts of polymers) 98.0+%, TCI America™

CAS: 100-28-7 Molecular Formula: C7H4N2O3 Molecular Weight (g/mol): 164.12 MDL Number: MFCD00007306 InChI Key: GFNKTLQTQSALEJ-UHFFFAOYSA-N Synonym: 1-isocyanato-4-nitro-benzene PubChem CID: 66012 IUPAC Name: 1-isocyanato-4-nitrobenzene SMILES: C1=CC(=CC=C1N=C=O)[N+](=O)[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-adamantanyl isocyanate PubChem CID: 2059995 IUPAC Name: 1-isocyanatoadamantane SMILES: C1C2CC3CC1CC(C2)(C3)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: 1-isocyanato-4-nitro-benzene PubChem CID: 66012 IUPAC Name: 1-isocyanato-4-nitrobenzene SMILES: C1=CC(=CC=C1N=C=O)[N+](=O)[O-]

Isophorone Diisocyanate (mixture of isomers) 99.0+%, TCI America™

CAS: 4098-71-9 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.288 MDL Number: MFCD00064956 InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYSA-N Synonym: 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate 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-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: 1-isocyanatomethyl-4-methoxybenzene PubChem CID: 187910 IUPAC Name: 1-(isocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CN=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: 2-methylphenyl isocyanate PubChem CID: 69194 ChEBI: CHEBI:60099 IUPAC Name: 1-isocyanato-2-methylbenzene SMILES: CC1=CC=CC=C1N=C=O

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

CAS: 42340-98-7 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.237 MDL Number: MFCD00004015 InChI Key: GONOHGQPZFXJOJ-SNVBAGLBSA-N Synonym: 1-1-isocyanatoethyl naphthalene # PubChem CID: 170633 IUPAC Name: 1-[(1R)-1-isocyanatoethyl]naphthalene SMILES: CC(C1=CC=CC2=CC=CC=C21)N=C=O

Alfa Aesar™ Benzyl isocyanate, 98%

CAS: 3173-56-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00009701 InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N Synonym: 1-isocyanatomethyl benzene PubChem CID: 76639 IUPAC Name: isocyanatomethylbenzene SMILES: C1=CC=C(C=C1)CN=C=O

1,4-Phenylene Diisocyanate 98.0+%, TCI America™

CAS: 104-49-4 Molecular Formula: C8H4N2O2 Molecular Weight (g/mol): 160.132 InChI Key: ALQLPWJFHRMHIU-UHFFFAOYSA-N Synonym: Benzene 1,4-Diisocyanate PubChem CID: 61009 IUPAC Name: 1,4-diisocyanatobenzene SMILES: C1=CC(=CC=C1N=C=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-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

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: .beta.-chloroethylisocyanate PubChem CID: 16035 IUPAC Name: 1-chloro-2-isocyanatoethane SMILES: C(CCl)N=C=O

1,3-Phenylene Diisocyanate 98.0+%, TCI America™

CAS: 123-61-5 Molecular Formula: C8H4N2O2 Molecular Weight (g/mol): 160.132 MDL Number: MFCD00002018 InChI Key: VGHSXKTVMPXHNG-UHFFFAOYSA-N Synonym: 1,3-phenylene diisocyanate PubChem CID: 31262 IUPAC Name: 1,3-diisocyanatobenzene SMILES: C1=CC(=CC(=C1)N=C=O)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: 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

Phenethyl Isocyanate 98.0+%, TCI America™

CAS: 1943-82-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00037044 InChI Key: HACRKYQRZABURO-UHFFFAOYSA-N Synonym: 2-isocyanato-ethyl-benzene PubChem CID: 160602 ChEBI: CHEBI:60067 IUPAC Name: 2-isocyanatoethylbenzene SMILES: C1=CC=C(C=C1)CCN=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-isocyanato-naphthalene PubChem CID: 66589 IUPAC Name: 1-isocyanatonaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2N=C=O

2-Chloroethyl Isocyanate 98.0+%, TCI America™

CAS: 1943-83-5 Molecular Formula: C3H4ClNO Molecular Weight (g/mol): 105.521 MDL Number: MFCD00002043 InChI Key: BCMYXYHEMGPZJN-UHFFFAOYSA-N Synonym: .beta.-chloroethylisocyanate PubChem CID: 16035 IUPAC Name: 1-chloro-2-isocyanatoethane SMILES: C(CCl)N=C=O

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