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36937-90-3

36937-90-3 structure
36937-90-3 structure
  • Name: 2-(3-TRIFLUOROBENZYLIDENE)-MALONONITRILE
  • Chemical Name: 2-[[3-(trifluoromethyl)phenyl]methylidene]propanedinitrile
  • CAS Number: 36937-90-3
  • Molecular Formula: C11H5F3N2
  • Molecular Weight: 222.16600
  • Create Date: 2018-08-05 18:49:24
  • Modify Date: 2023-01-20 17:03:22

Name 2-[[3-(trifluoromethyl)phenyl]methylidene]propanedinitrile
Density 1.33g/cm3
Boiling Point 302ºC at 760mmHg
Molecular Formula C11H5F3N2
Molecular Weight 222.16600
Flash Point 136.5ºC
Exact Mass 222.04000
PSA 47.58000
LogP 3.13596
Index of Refraction 1.528

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO4480000
CHEMICAL NAME :
Malononitrile, (3-trifluoromethylbenzylidene)-
CAS REGISTRY NUMBER :
36937-90-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H5-F3-N2
MOLECULAR WEIGHT :
222.18
WISWESSER LINE NOTATION :
NCYCN&U1R CXFFF

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#07631
Hazard Codes Xi: Irritant;
HS Code 2926909090

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36937-90-3 structure

36937-90-3

Literature: Chang, Lisa C. W.; Von Frijtag Drabbe Kuenzel, Jacobien K.; Mulder-Krieger, Thea; Spanjersberg, Ronald F.; Roerink, Sophie F.; Van Den Hout, Gijs; Beukers, Margot W.; Brussee, Johannes; Ijzerman, Adriaan P. Journal of Medicinal Chemistry, 2005 , vol. 48, # 6 p. 2045 - 2053
HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%