Introduction:Basic information about CAS 91-93-0|1,1'-Biphenyl,4,4'-diisocyanato-3,3'-dimethoxy-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,1'-Biphenyl,4,4'-diisocyanato-3,3'-dimethoxy- |
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| CAS Number | 91-93-0 | Molecular Weight | 296.27700 |
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| Density | 1.19g/cm3 | Boiling Point | 442.5ºC at 760 mmHg |
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| Molecular Formula | C16H12N2O4 | Melting Point | 112-116ºC(lit.) |
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| MSDS | / | Flash Point | 170 °F |
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Names
| Name | 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.19g/cm3 |
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| Boiling Point | 442.5ºC at 760 mmHg |
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| Melting Point | 112-116ºC(lit.) |
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| Molecular Formula | C16H12N2O4 |
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| Molecular Weight | 296.27700 |
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| Flash Point | 170 °F |
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| Exact Mass | 296.08000 |
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| PSA | 77.32000 |
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| LogP | 3.30540 |
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| Index of Refraction | 1.569 |
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| InChIKey | QZWKEPYTBWZJJA-UHFFFAOYSA-N |
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| SMILES | COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NQ8800000
- CHEMICAL NAME :
- Isocyanic acid, 3,3'-dimethoxy-4,4'-biphenylene ester
- CAS REGISTRY NUMBER :
- 91-93-0
- BEILSTEIN REFERENCE NO. :
- 0928196
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 12
- MOLECULAR FORMULA :
- C16-H12-N2-O4
- MOLECULAR WEIGHT :
- 296.30
- WISWESSER LINE NOTATION :
- OCNR BO1 DR CO1 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 :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 565 gm/kg/78W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia Skin and Appendages - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1200 gm/kg/78W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia Skin and Appendages - tumors
MUTATION DATA - TYPE OF TEST :
- Morphological transformation
- TEST SYSTEM :
- Rodent - rat Embryo
- DOSE/DURATION :
- 81 ug/plate
- REFERENCE :
- JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 1,190,1981 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 39,279,1986 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 39,279,1986 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2937 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 227 (estimated)
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Safety Information
| Hazard Codes | T |
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| Risk Phrases | R23/24/25 |
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| Safety Phrases | S26;S36;S45 |
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| RIDADR | UN 2811 6.1/PG 2 |
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Synonyms
| 3,3'-dimethoxy-4,4'-biphenylenediisocyanate |
| 3,3'-Dimethoxy-biphenyl-4,4'-diyldiisocyanate |
| 3,3'-dimethoxybiphenyl-4,4'-diisocyanate |
| MFCD00013847 |
| Dianisidine diisocyanate |
| 4,4'-diisocyanato-3,3'-dimethoxybiphenyl |
| 3,3'-DIMETHOXYBENZIDINE-4,4'-DIISOCYANATE |
| 3,3'-dimethoxy-biphenyl-4,4'-diyl diisocyanate |