13402-51-2

13402-51-2 structure
13402-51-2 structure
  • Name: Benzenecarbothioicacid, S-(phenylmethyl) ester
  • Chemical Name: S-benzyl benzenecarbothioate
  • CAS Number: 13402-51-2
  • Molecular Formula: C14H12OS
  • Molecular Weight: 228.30900
  • Create Date: 2016-09-30 20:36:21
  • Modify Date: 2024-01-09 09:55:51

Name S-benzyl benzenecarbothioate
Synonyms 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
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

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
HS Code 2930909090
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%