Benzenecarbothioicacid, S-(phenylmethyl) ester

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Names

[ CAS No. ]:
13402-51-2

[ Name ]:
Benzenecarbothioicacid, S-(phenylmethyl) ester

[Synonym ]:
Tibenzate
S-Benzyl benzothioate
benzyl benzothioate
Tibenzatum [INN-Latin]
Benzyl thiobenzoate
Tibenzato [INN-Spanish]
S-Benzyl thiobenzoate
thiobenzoic acid S-benzyl ester
(S)-benzyl benzenecarbothioate

Chemical & Physical Properties

[ Density]:
1.167g/cm3

[ Boiling Point ]:
341ºC at 760mmHg

[ Molecular Formula ]:
C14H12OS

[ Molecular Weight ]:
228.30900

[ Flash Point ]:
146.5ºC

[ Exact Mass ]:
228.06100

[ PSA ]:
42.37000

[ LogP ]:
3.76020

[ Vapour Pressure ]:
8.26E-05mmHg at 25°C

[ Index of Refraction ]:
1.62

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH6850000
CHEMICAL NAME :
Benzoic acid, thio-, S-benzyl ester
CAS REGISTRY NUMBER :
13402-51-2
BEILSTEIN REFERENCE NO. :
2049281
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H12-O-S
MOLECULAR WEIGHT :
228.32
WISWESSER LINE NOTATION :
RVS1R

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 :
1550 mg/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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02522

Safety Information

[ HS Code ]:
2930909090

Precursor & DownStream

Precursor

DownStream

  • Benzyl alcohol
  • Methyl benzoate
  • 2-Phenylethanethiol
  • Diphenylacetylene
  • Dibenzyl disulfide
  • Benzaldehyde
  • benzylthiol
  • benzoic acid
  • Biphenyl
  • stilbene

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

  • N-(3-(1-(furan-2-carbonyl)-5-(2-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
  • 3-Chloro-2-methoxypyridine-4-acetic acid
  • 4-[2-(4-Chlorophenoxy)acetyl]piperazin-2-one
  • 2-Methyl-2-(3,4,5-trifluorophenyl)propanoic acid
  • 1-phenyl-N-(4-sulfamoylbenzyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
  • 5-(4-Thiazolyl)-2-pyridinecarboxylic acid
  • N-(1-oxo-1-{2-[3-(trifluoromethyl)phenoxy]acetohydrazido}propan-2-yl)-2-phenylethene-1-sulfonamide
  • 2-Pyridinecarboxylic acid, 5-(4-methyl-4H-1,2,4-triazol-3-yl)
  • N-(1,1-dimethylethyl)-2-methyl-1-naphthalenecarboxamide
  • 1-(6-Amino-7-bromoisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone hydrochloride
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