Phenylacetic acid mustard

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Names

[ CAS No. ]:
10477-72-2

[ Name ]:
Phenylacetic acid mustard

[Synonym ]:
PAAM
Chlorphenacyl
Phenylacetic acid mustard
Khlorfenatsil
Chlorphenacil
Phenacid
Phenylacetic mustard

Chemical & Physical Properties

[ Boiling Point ]:
195.5ºC at 760 mmHg

[ Molecular Formula ]:
C12H15Cl2NO2

[ Molecular Weight ]:
276.15900

[ Flash Point ]:
89.6ºC

[ Exact Mass ]:
275.04800

[ PSA ]:
40.54000

[ LogP ]:
2.59770

[ Vapour Pressure ]:
0.418mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF5456000
CHEMICAL NAME :
Acetic acid, 2-(p-(bis(2-chloroethyl)amino)phenyl)-
CAS REGISTRY NUMBER :
10477-72-2
BEILSTEIN REFERENCE NO. :
0960062
LAST UPDATED :
199612
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C12-H15-Cl2-N-O2
MOLECULAR WEIGHT :
276.18
WISWESSER LINE NOTATION :
QV1R DN2G2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
15 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15900 ug/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
DOSE :
10 mg/kg
SEX/DURATION :
female 14 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - ovaries, fallopian tubes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
8 mg/kg
SEX/DURATION :
male 14 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Sex chromosome loss and nondisjunction

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Rodent - hamster Fibroblast
DOSE/DURATION :
1500 umol/L
REFERENCE :
BEXBAN Bulletin of Experimental Biology and Medicine (English Translation). Translation of BEBMAE. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.41- 1956- Volume(issue)/page/year: 92,943,1981

Safety Information

[ HS Code ]:
2922499990

Synthetic Route

Precursor & DownStream

Precursor

  • Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester
  • tert-Butyl (4-aminophenyl)acetate
  • (4-Aminophenyl)acetic acid
  • Ethyl p-aminophenylacetate

DownStream

  • Pregn-5-en-20-one,3-[[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-, (3b)- (9CI)
  • Androst-5-en-17-one,3-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-, (3b)-
  • Cholest-5-en-3-ol (3b)-,3-[4-[bis(2-chloroethyl)amino]benzeneacetate]

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%


Related Compounds

  • Phenylacetic acid 3-(2-methylpiperidino)propyl ester
  • phenylacetic acid
  • Phenylacetic acid-1,2-13C2
  • phenylacetic acid 3-(diisopropylamino)-2,3-dioxopropyl ester
  • phenylacetic acid
  • phenylacetic acid methyl ester, enolate