(Z)-3-[4-(2-chloroethyl-(2-fluoroethyl)amino)phenyl]prop-2-enoic acid

Modify Date: 2025-10-03 12:17:26

(Z)-3-[4-(2-chloroethyl-(2-fluoroethyl)amino)phenyl]prop-2-enoic acid Structure
(Z)-3-[4-(2-chloroethyl-(2-fluoroethyl)amino)phenyl]prop-2-enoic acid structure
Common Name (Z)-3-[4-(2-chloroethyl-(2-fluoroethyl)amino)phenyl]prop-2-enoic acid
CAS Number 4093-04-3 Molecular Weight 271.71500
Density 1.276g/cm3 Boiling Point 442.1ºC at 760 mmHg
Molecular Formula C13H15ClFNO2 Melting Point N/A
MSDS N/A Flash Point 221.2ºC

 Names

Name (Z)-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]prop-2-enoic acid

 Chemical & Physical Properties

Density 1.276g/cm3
Boiling Point 442.1ºC at 760 mmHg
Molecular Formula C13H15ClFNO2
Molecular Weight 271.71500
Flash Point 221.2ºC
Exact Mass 271.07800
PSA 40.54000
LogP 2.79910
Index of Refraction 1.594
InChIKey NEHQIFYEZKEVMS-UTCJRWHESA-N
SMILES O=C(O)C=Cc1ccc(N(CCF)CCCl)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GD8550500
CHEMICAL NAME :
Cinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)-
CAS REGISTRY NUMBER :
4093-04-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H15-Cl-F-N-O2
MOLECULAR WEIGHT :
271.74
WISWESSER LINE NOTATION :
QV1U1R DN2G2F

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,741,1965

 Safety Information

HS Code 2922499990

 Customs

HS Code 2922499990
Summary HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
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