Ethanethioic acid,S-(4-bromophenyl) ester

Suppliers

Names

[ CAS No. ]:
28122-76-1

[ 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

  • Ethanoic anhydride
  • 4-Bromothiophenol
  • Acetyl chloride
  • 1-Bromo-4-(tert-butylsulfanyl)benzene
  • Disulfide,bis(4-broMophenyl)
  • 4-Bromoaniline
  • Potassium thioacetate

DownStream

  • Acetamide
  • 4-bromo-benzenethiol, deprotonated form
  • acetic acid
  • 4-Bromothiophenol

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%

Related Compounds

  • Ethanethioic acid, S-[4-(chlorocarbonyl)phenyl] ester (9CI)
  • Ethanethioic acid, S-[(4-bromo-2-thienyl)methyl] ester
  • Ethanethioic Acid S-(4-Cyano-1-oxido-2-pyridinyl) Ester
  • Ethanethioic acid,S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ester
  • Ethanethioic acid,S-(4,5-dihydro-4-methyl-5-oxo-2-phenyl-4-oxazolyl) ester
  • 4-Cyanobenzoic acid 4-bromophenyl ester
  • Perfluoro-3-ethoxypropanoic acid
  • 7-(alpha-Acetylbenzyl) indoline
  • 1-(4-Chlorobenzoyl)-2,5-dimethyl-1H-indole-3-acetic acid
  • 4-Propyloxazolidine-2,5-dione
  • 4-Benzyl-1-Boc-6-oxo-1,4-diazepane
  • N-[8-(Boc-amino)octyl]-N-Fmoc-glycine
  • 2-Amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[(2-propan-2-ylphenyl)methyl]propanoic acid
  • 1-(1-Aminoethyl)cyclobutanol hydrochloride
  • N-Fmoc-3-fluoro-2-methyl-D-phenylalanine
  • (2R)-2-[(tert-butoxycarbonyl)amino]-4-(methylcarbamoyl)butanoic acid