4,4'-Diisocyanato-3,3'-dimethylbiphenyl

Names

[ CAS No. ]:
91-97-4

[ Name ]:
4,4'-Diisocyanato-3,3'-dimethylbiphenyl

[Synonym ]:
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

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
384.8±42.0 °C at 760 mmHg

[ Melting Point ]:
70-72°C

[ Molecular Formula ]:
C₁₆H₁₂N₂O₂

[ Molecular Weight ]:
264.279

[ Flash Point ]:
158.8±33.2 °C

[ Exact Mass ]:
264.089874

[ PSA ]:
58.86000

[ LogP ]:
5.03

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.583

MSDS

Click to get detail MSDS

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 DATA

ACUTE 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

Safety Information

[ Hazard Codes ]:
Xn

[ RTECS ]:
DV3960000

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2929109000

[ Summary ]:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%