CAS 3405-88-7|(4-chlorophenylthio)acetic acid

Introduction:Basic information about CAS 3405-88-7|(4-chlorophenylthio)acetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name(4-chlorophenylthio)acetic acid
CAS Number3405-88-7Molecular Weight202.65800
Density1.41g/cm3Boiling Point348.4ºC at 760mmHg
Molecular FormulaC8H7ClO2SMelting Point104-107 °C(lit.)
MSDS/Flash Point164.5ºC

Names

Name2-(4-chlorophenyl)sulfanylacetic acid
SynonymMore Synonyms

Chemical & Physical Properties

Density1.41g/cm3
Boiling Point348.4ºC at 760mmHg
Melting Point104-107 °C(lit.)
Molecular FormulaC8H7ClO2S
Molecular Weight202.65800
Flash Point164.5ºC
Exact Mass201.98600
PSA62.60000
LogP2.51670
InChIKeyYPKLXLYGMAWXDO-UHFFFAOYSA-N
SMILESO=C(O)CSc1ccc(Cl)cc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AG1075000
CHEMICAL NAME :
Acetic acid, ((p-chlorophenyl)thio)-
CAS REGISTRY NUMBER :
3405-88-7
BEILSTEIN REFERENCE NO. :
1871569
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H7-Cl-O2-S
MOLECULAR WEIGHT :
202.66
WISWESSER LINE NOTATION :
QV1SR DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,237,1946
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>400 mg/kg
TOXIC EFFECTS :
Behavioral - sleep Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting
REFERENCE :
85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,237,1946 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1500 mg/kg/5D-I
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Related to Chronic Data - death
REFERENCE :
85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,237,1946

Safety Information

Hazard CodesXi: Irritant;
Risk PhrasesR36/37/38
Safety PhrasesS26-S36
WGK Germany3
RTECSAG1075000

Synonyms

2-((4-Chlorophenyl)thio)acetic acid
(4-CHLORO-PHENYLSULFANYL)-ACETIC ACID
(4-Chlorophenylthio)acetic acid
p-Chlorophenylmercaptoacetic acid
MFCD00021762
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