2-(3-TRIFLUOROBENZYLIDENE)-MALONONITRILE

Modify Date: 2024-07-12 19:23:27

2-(3-TRIFLUOROBENZYLIDENE)-MALONONITRILE Structure
2-(3-TRIFLUOROBENZYLIDENE)-MALONONITRILE structure
Common Name 2-(3-TRIFLUOROBENZYLIDENE)-MALONONITRILE
CAS Number 36937-90-3 Molecular Weight 222.16600
Density 1.33g/cm3 Boiling Point 302ºC at 760mmHg
Molecular Formula C11H5F3N2 Melting Point N/A
MSDS N/A Flash Point 136.5ºC

 Names

Name 2-[[3-(trifluoromethyl)phenyl]methylidene]propanedinitrile

 Chemical & Physical Properties

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

 Toxicological Information

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

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2926909090

 Synthetic Route

~%

2-(3-TRIFLUOROBENZYLIDENE)-MALONONITRILE Structure

2-(3-TRIFLUOROB...

CAS#: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

 Customs

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%