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1,1'-Biphenyl,4,4'-diisocyanato-3,3'-dimethoxy-

Names

[ CAS No. ]:
91-93-0

[ Name ]:
1,1'-Biphenyl,4,4'-diisocyanato-3,3'-dimethoxy-

[Synonym ]:
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

Chemical & Physical Properties

[ Density]:
1.19g/cm3

[ Boiling Point ]:
442.5ºC at 760 mmHg

[ Melting Point ]:
112-116ºC(lit.)

[ Molecular Formula ]:
C16H12N2O4

[ Molecular Weight ]:
296.27700

[ Flash Point ]:
170 °F

[ Exact Mass ]:
296.08000

[ PSA ]:
77.32000

[ LogP ]:
3.30540

[ Index of Refraction ]:
1.569

MSDS

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 DATA

ACUTE 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)

Safety Information

[ Hazard Codes ]:
T

[ Risk Phrases ]:
R23/24/25

[ Safety Phrases ]:
S26;S36;S45

[ RIDADR ]:
UN 2811 6.1/PG 2

Synthetic Route

Precursor & DownStream


Related Compounds