Ethanethioic acid,S-(4-bromophenyl) ester

Names

[ Name ]:
Ethanethioic acid,S-(4-bromophenyl) ester

[Synonym ]:
4-substituted phenylthiol acetate
acetyl 4-bromo-thiophenolate
4-BrC6H4SAc
MFCD05865194
thioacetic acid S-4-bromophenyl ester
WLN: ER DSV1
1-(acetylthio)-4-bromobenzene
Ethanethioic acid,S-(4-bromophenyl) ester
S-4-bromophenyl ethanethioate
S-(p-Bromophenyl) thioacetate
ACETIC ACID,THIO-,S-(p-BROMOPHENYL) ESTER

Chemical & Physical Properties

[ Density]:
1.57g/cm3

[ Boiling Point ]:
96ºC1 mm Hg(lit.)

[ Melting Point ]:
51-55ºC(lit.)

[ Molecular Formula ]:
C₈H₇BrOS

[ Molecular Weight ]:
231.11000

[ Flash Point ]:
128.7ºC

[ Exact Mass ]:
229.94000

[ PSA ]:
42.37000

[ LogP ]:
3.08770

[ Vapour Pressure ]:
0.00223mmHg at 25°C

[ Index of Refraction ]:
1.622

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AJ5900000

CHEMICAL NAME :: Acetic acid, thio-, S-(p-bromophenyl) ester

CAS REGISTRY NUMBER :: 28122-76-1

BEILSTEIN REFERENCE NO. :: 1940540

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H7-Br-O-S

MOLECULAR WEIGHT :: 231.12

WISWESSER LINE NOTATION :: ER DSV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 89,1179,1969

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H317

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
22-43

[ Safety Phrases ]:
36

[ RIDADR ]:
UN 3335

[ RTECS ]:
AJ5900000

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%