2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)acetic acid

Names

[ CAS No. ]:
21607-71-6

[ Name ]:
2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)acetic acid

[Synonym ]:
6H,11H-Dibenzo(b,e)thiepin-11-acetic acid
Dibenzo(b,e)thiepin-11-acetic acid,6,11-dihydro
6,11-Dihydrodibenzo(b,e)thiepin-11-acetic acid
6,11-dihydrodibenzo[b,e]thiepin-11-ylacetic acid

Chemical & Physical Properties

[ Boiling Point ]:
454.4ºC at 760 mmHg

[ Molecular Formula ]:
C16H14O2S

[ Molecular Weight ]:
270.34600

[ Flash Point ]:
228.6ºC

[ Exact Mass ]:
270.07100

[ PSA ]:
62.60000

[ LogP ]:
3.89890

[ Vapour Pressure ]:
4.78E-09mmHg at 25°C

[ Index of Refraction ]:
1.638

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HQ2524000
CHEMICAL NAME :
Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-
CAS REGISTRY NUMBER :
21607-71-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H14-O2-S
MOLECULAR WEIGHT :
270.36

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 :
>2500 mg/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: 44,2689,1979

Related Compounds

  • 6-(dimethoxymethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
  • 3-({[(Tert-butoxy)carbonyl]amino}methyl)-6-(methoxycarbonyl)bicyclo[3.1.0]hexane-3-carboxylic acid
  • 2-(3,5-Dimethylphenyl)-2-fluoropropanoic acid
  • 3-(1-Hydroxycyclobutyl)-1,1-dioxo-1lambda6-thiane-3-carboxylic acid
  • 4-Ethyl-5-oxo-2-(trifluoromethyl)oxolane-2-carboxylic acid
  • 1-Oxo-3-(trifluoromethyl)-2-oxaspiro[4.4]nonane-3-carboxylic acid
  • 2-Tert-butyl-4-ethyl-5-oxooxolane-2-carboxylic acid
  • 2-Tert-butyl-4-(2-methylpropyl)-5-oxooxolane-2-carboxylic acid
  • 1-(2-methylpyridin-4-yl)-5-propyl-1H-pyrazole-3-carboxylic acid
  • 4,4-Dimethyl-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
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