p-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid

Modify Date: 2023-02-02 13:49:15

p-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid Structure
p-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid structure
Common Name p-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid
CAS Number 4235-44-3 Molecular Weight 273.73100
Density 1.237g/cm3 Boiling Point 425.3ºC at 760 mmHg
Molecular Formula C13H17ClFNO2 Melting Point N/A
MSDS N/A Flash Point 211ºC

 Names

Name 3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.237g/cm3
Boiling Point 425.3ºC at 760 mmHg
Molecular Formula C13H17ClFNO2
Molecular Weight 273.73100
Flash Point 211ºC
Exact Mass 273.09300
PSA 40.54000
LogP 2.71850
Index of Refraction 1.551
InChIKey ISVOODOMMXJJJL-UHFFFAOYSA-N
SMILES O=C(O)CCc1ccc(N(CCF)CCCl)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MW5120010
CHEMICAL NAME :
Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)-
CAS REGISTRY NUMBER :
4235-44-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H17-Cl-F-N-O2
MOLECULAR WEIGHT :
273.76
WISWESSER LINE NOTATION :
QV2R 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%

 Synonyms

p-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid
HYDROCINNAMIC ACID,p-((2-CHLOROETHYL)(2-FLUOROETHYL)AMINO)
4-<(2-Chloraethyl)-(2-fluoraethyl)-amino>-hydrozimtsaeure
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