methyl (2E)-2-(10-chloro-9-methoxy-4,6-dioxo-2,5-diazabicyclo[5.4.0]undeca-7,9,11-trien-3-ylidene)acetate

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Names

[ CAS No. ]:
35514-34-2

[ Name ]:
methyl (2E)-2-(10-chloro-9-methoxy-4,6-dioxo-2,5-diazabicyclo[5.4.0]undeca-7,9,11-trien-3-ylidene)acetate

[Synonym ]:
7-Methoxy-8-butoxytetrazolo<a>chinazol-5-on

Chemical & Physical Properties

[ Density]:
1.464g/cm3

[ Boiling Point ]:
535.5ºC at 760 mmHg

[ Molecular Formula ]:
C13H11ClN2O5

[ Molecular Weight ]:
310.69000

[ Flash Point ]:
277.6ºC

[ Exact Mass ]:
310.03600

[ PSA ]:
101.25000

[ LogP ]:
0.11300

[ Index of Refraction ]:
1.616

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF8990000
CHEMICAL NAME :
Acetic acid, (8-chloro-3,5-dioxo-7-methoxy-1,3,4,5-tetrahydro-2H-1 ,4-benzodiazepin-2- ylidene)-, methyl ester
CAS REGISTRY NUMBER :
35514-34-2
BEILSTEIN REFERENCE NO. :
0842049
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H11-Cl-N2-O5
MOLECULAR WEIGHT :
310.71

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1233,1971

Related Compounds

  • 4,4-Difluoro-1-phenylbutan-1-one
  • 4-Methyl-5-(3-(trifluoromethoxy)phenyl)pyridin-2-amine
  • 2-(Morpholine-4-sulfonyl)phenol
  • 5-Bromo-1-(4-methylphenyl)-1H-pyrazole
  • 5-(5-Bromo-2-fluorophenyl)-1H-pyrazole-3-carboxylic acid
  • 1-Amino-6-bromo-3,3-dimethyl-2,3-dihydro-1H-indene
  • 4-(2-Bromo-4-methylphenyl)piperidine
  • Methyl 2-propylprolinate hydrochloride
  • Diheptyl (2S,3S)-2,3-dihydroxybutanedioate
  • N~5~-(Diaminomethylidene)-L-ornithyl-L-lysyl-L-leucyl-L-prolyl-L-prolyl-N~5~-(diaminomethylidene)-L-ornithyl-L-seryl-L-lysine
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