4-chloro-7,7-diphenyl-8,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-9-car boxylic acid

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Names

[ CAS No. ]:
71980-71-7

[ Name ]:
4-chloro-7,7-diphenyl-8,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-9-car boxylic acid

[Synonym ]:
6-Chloro-4,4-diphenyl-1,3-benzodioxan-2-carboxylic acid
6-chloro-4,4-diphenyl-[4H]-1,3-benzodioxin-2-carboxylic acid
4H-1,3-Benzodioxin-2-carboxylic acid,6-chloro-4,4-diphenyl
1,3-Benzodioxan-2-carboxylic acid,6-chloro-4,4-diphenyl

Chemical & Physical Properties

[ Density]:
1.361g/cm3

[ Boiling Point ]:
547.5ºC at 760 mmHg

[ Molecular Formula ]:
C21H15ClO4

[ Molecular Weight ]:
366.79400

[ Flash Point ]:
284.9ºC

[ Exact Mass ]:
366.06600

[ PSA ]:
55.76000

[ LogP ]:
4.45160

[ Index of Refraction ]:
1.638

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF3509200
CHEMICAL NAME :
1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-
CAS REGISTRY NUMBER :
71980-71-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H15-Cl-O4
MOLECULAR WEIGHT :
366.81

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 18,67,1983

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Dichloroacetic acid
  • 5-Chlor-2-hydroxy-triphenylmethanol

DownStream

  • methyl 6-chloro-4,4-diphenyl-1,3-benzodioxine-2-carboxylate

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine