3,3'-Dimethoxybenzidine-4,4'-diisocyanate

Base Information

• Chemical Name: 3,3'-Dimethoxybenzidine-4,4'-diisocyanate
• CAS No.: 91-93-0
• Molecular Formula: C16H12 N2 O4
• Molecular Weight: 296.30
• European Community (EC) Number: 627-518-5
• NSC Number: 5040
• UN Number: 2206
• UNII: 5AC9L5Y28Y
• DSSTox Substance ID: DTXSID6020484
• Nikkaji Number: J36.791E
• Wikidata: Q27155949
• ChEMBL ID: CHEMBL1487677
• Mol file: 91-93-0.mol

Synonyms:91-93-0;3,3'-DIMETHOXYBENZIDINE-4,4'-DIISOCYANATE;Dianisidine diisocyanate;3,3'-Dimethoxy-4,4'-biphenylene diisocyanate;DADI;4,4'-diisocyanato-3,3'-dimethoxybiphenyl;NCI-C02175;NSC 5040;1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethoxy-;CCRIS 250;1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene;Isocyanic acid, ester with O,O'-dimethoxybiphenyl;HSDB 4103;3,3'-Dimethoxy-4,4'-diphenylyl isocyanate;3,3'-Dimethoxy-4,4'-biphenylylene isocyanate;Dimethoxybenzidine-4,4'-diisocyanate;4,4'-Diisocyanato-3,3'-dimethoxy-1,1'-biphenyl;BRN 0928196;UNII-5AC9L5Y28Y;3,3'-Dimethoxy-4,4'-biphenylylene isocyanic acid ester;AI3-52494;5AC9L5Y28Y;Isocyanic acid, 3,3'-dimethoxy-4,4'-biphenylylene ester;DTXSID6020484;CHEBI:82451;C16H12N2O4;NSC-5040;Isocyanic acid, 3,3'-dimethoxy-4,4'-biphenylene ester;3,3'-Dimethoxybiphenyl-4,4'-diisocyanate;4-13-00-02837 (Beilstein Handbook Reference);3,3'-Dimethoxybenzidine-4,4'-diisocyanate [Diisocyanates];Diansidine Diisocyanate;3,3'-dimethoxy-4,4'-biphenylenediisocyanate;3,3'-Dimethoxy-4,4'-diphenylene diisocyanate;3,4'-biphenyl diisocyanate;3,4'-diphenylyl isocyanate;SCHEMBL14992;DTXCID20484;3,4'-biphenylylene isocyanate;CHEMBL1487677;4,3'-dimethoxy-1,1'-biphenyl;NSC5040;Isocyanic acid,O'-dimethoxybiphenyl;NCI-C-02175;Tox21_202477;WLN: OCNR BO1 DR CO1 DNCO;AKOS015889051;Isocyanic acid 3,4'-biphenylene ester;LS-1931;CAS-91-93-0;3,3-Dimethoxybenzidine-4,4-diisocyanate;Isocyanic acid 3,4'-biphenylylene ester;NCGC00091609-01;NCGC00091609-02;NCGC00260026-01;1, 4,4'-diisocyanato-3,3'-dimethoxy-;3,3'-dimethoxy-4,4'-diisocyanatobiphenyl;FT-0631442;C19403;3,3'-Bianisole-4,4'-Isocyanicacid Ester - Carc;Isocyanic acid,3'-dimethoxy-4,4'-biphenylene ester;DIMETHOXYBENZIDINE-4,4'-DIISOCYANATE, 3,3'-;Isocyanic acid 3,3'-dimethoxy-4,4'-biphenylene ester;Isocyanic acid,3'-dimethoxy-4,4'-biphenylylene ester;Q27155949;isocyanic acid, 3,3'-dimethoxy-4,4' -biphenylene ester;3,3'-DIMETHOXYBENZIDINE-4,4'-DIISOCYANATE [HSDB];3,3'-DIMETHOXYBENZIDINE-4,4'-DIISOCYANATE [IARC];3,3'-Dimethoxy-4,4'-biphenylene diisocyanate, 85%, technical grade

Chemical Property of 3,3'-Dimethoxybenzidine-4,4'-diisocyanate

Chemical Property:

• Melting Point: 112-116 °C(lit.)
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 437.88°C (rough estimate)
• Flash Point: 170 °F
• PSA: 77.32000
• Density: 1.2288 (rough estimate)
• LogP: 3.30540
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 296.07970687
• Heavy Atom Count: 22
• Complexity: 415
• Transport DOT Label: Poison

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

3,3'-DIMETHOXY-4,4'-BIPHENYLENE DIISOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Toxic by inhalation and ingestion, skin irritant.
• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 26-36-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Diisocyanates
• Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O