Introduction：Basic information about CAS 91-97-4|4,4'-Diisocyanato-3,3'-dimethylbiphenyl, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4,4'-Diisocyanato-3,3'-dimethylbiphenyl |
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| CAS Number | 91-97-4 | Molecular Weight | 264.279 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 384.8±42.0 °C at 760 mmHg |
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| Molecular Formula | C16H12N2O2 | Melting Point | 70-72°C |
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| MSDS | / | Flash Point | 158.8±33.2 °C |
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Names
| Name | 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 384.8±42.0 °C at 760 mmHg |
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| Melting Point | 70-72°C |
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| Molecular Formula | C16H12N2O2 |
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| Molecular Weight | 264.279 |
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| Flash Point | 158.8±33.2 °C |
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| Exact Mass | 264.089874 |
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| PSA | 58.86000 |
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| LogP | 5.03 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.583 |
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| InChIKey | ICLCCFKUSALICQ-UHFFFAOYSA-N |
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| SMILES | Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DV3960000
- CHEMICAL NAME :
- 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-
- CAS REGISTRY NUMBER :
- 91-97-4
- BEILSTEIN REFERENCE NO. :
- 2743710
- LAST UPDATED :
- 199803
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C16-H12-N2-O2
- MOLECULAR WEIGHT :
- 264.30
- WISWESSER LINE NOTATION :
- OCNR B1 DR C1 DNCO
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02412
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MTPEEI Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. (Mezhdunarodnaya Kniga, ul.B. Yakimanka, 39 117049 Moscow, Russia) No.1- 1993- Volume(issue)/page/year: (7),37,1994
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Safety Information
| Hazard Codes | Xn |
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| RTECS | DV3960000 |
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| HS Code | 2929109000 |
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Customs
| HS Code | 2929109000 |
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| Summary | 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 4,4'-Diisocyanato-3,3'-dimethylbiphenyl |
| MFCD00019908 |
| 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl- |
| EINECS 202-112-7 |
| 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene |
