(E)-3-(2-Methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)propionic a cid

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Names

[ CAS No. ]:
112930-60-6

[ Name ]:
(E)-3-(2-Methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)propionic a cid

Chemical & Physical Properties

[ Density]:
1.3g/cm3

[ Boiling Point ]:
518.3ºC at 760mmHg

[ Molecular Formula ]:
C18H16O2S

[ Molecular Weight ]:
296.38300

[ Flash Point ]:
267.3ºC

[ Exact Mass ]:
296.08700

[ PSA ]:
62.60000

[ LogP ]:
4.50710

[ Vapour Pressure ]:
1.43E-11mmHg at 25°C

[ Index of Refraction ]:
1.703

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UA2468000
CHEMICAL NAME :
Propanoic acid, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)-
CAS REGISTRY NUMBER :
112930-60-6
LAST UPDATED :
199206
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H16-O2-S
MOLECULAR WEIGHT :
296.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 52,1566,1987

Related Compounds

  • (1R,5S)-N-(thiophen-2-ylmethyl)-3-(1H-1,2,4-triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
  • (1R,5S)-8-(thiophen-2-ylsulfonyl)-3-(1H-1,2,4-triazol-1-yl)-8-azabicyclo[3.2.1]octane
  • (1R,5S)-8-((3,4-dimethylphenyl)sulfonyl)-3-(1H-1,2,4-triazol-1-yl)-8-azabicyclo[3.2.1]octane
  • (1R,5S)-8-(phenethylsulfonyl)-3-(1H-1,2,4-triazol-1-yl)-8-azabicyclo[3.2.1]octane
  • 8-(naphthalene-1-sulfonyl)-3-(1H-1,2,4-triazol-1-yl)-8-azabicyclo[3.2.1]octane
  • (1R,5S)-8-((3-chloro-4-methoxyphenyl)sulfonyl)-3-(1H-1,2,4-triazol-1-yl)-8-azabicyclo[3.2.1]octane
  • (1R,5S)-3-(1H-1,2,4-triazol-1-yl)-8-((4-(trifluoromethoxy)phenyl)sulfonyl)-8-azabicyclo[3.2.1]octane
  • 4-(3-(Pyrazin-2-ylamino)azetidine-1-carbonyl)benzonitrile
  • 2-(4-Fluorophenyl)-1-(3-(pyrazin-2-ylamino)azetidin-1-yl)ethan-1-one
  • Benzofuran-2-yl(3-(pyrazin-2-ylamino)azetidin-1-yl)methanone
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