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

Modify Date: 2025-08-25 18:07:06

4,4'-Diisocyanato-3,3'-dimethylbiphenyl structure	Common Name	4,4'-Diisocyanato-3,3'-dimethylbiphenyl
	CAS Number	91-97-4	Molecular Weight	264.279
	Density	1.1±0.1 g/cm3	Boiling Point	384.8±42.0 °C at 760 mmHg
	Molecular Formula	C₁₆H₁₂N₂O₂	Melting Point	70-72°C
	MSDS	N/A	Flash Point	158.8±33.2 °C

Name	4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl
Synonym	More Synonyms

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
InChIKey	ICLCCFKUSALICQ-UHFFFAOYSA-N
SMILES	Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O

4,4'-Diisocyanato-3,3'-dimethylbiphenyl MSDS(Chinese)

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

Hazard Codes	Xn
RTECS	DV3960000
HS Code	2929109000

N,N'-(3,3'-dime...

CAS#:16083-49-1

~91%

4,4'-Diisocyana...

CAS#:91-97-4

Literature: Butler; Alper Chemical Communications, 1998 , # 23 p. 2575 - 2576

phosgene

CAS#:75-44-5

4,4'-Bi-o-tolui...

CAS#:612-82-8

4,4'-Diisocyana...

CAS#:91-97-4

Literature: Justus Liebigs Annalen der Chemie, , vol. 562, p. 75,1114

Precursor 2
CAS#:75-44-5 phosgene CAS#:612-82-8 4,4'-Bi-o-tolui...
DownStream 1
CAS#:3259-65-2 1-Aziridinecarb...

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

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Total 2, Current Page 1 of 1

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

MFCD00019908

EINECS 202-112-7

1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene