sodium,7-oxocyclohepta-1,3,5-trien-1-olate

Names

[ CAS No. ]:
42887-08-1

[ Name ]:
sodium,7-oxocyclohepta-1,3,5-trien-1-olate

[Synonym ]:
Na-Troponolonat
2-Hydroxy-2,4,6-cycloheptatrien-1-one sodium salt
Sodium tropolonate
Natrium-tropolonat
2,4,6-Cycloheptatrien-1-one,2-hydroxy-,sodium salt
sodium troponolate
Tropolone,sodium deriv.
Sodium salt of tropolone
tropolone,sodium-salt

Chemical & Physical Properties

[ Boiling Point ]:
290.1ºC at 760 mmHg

[ Molecular Formula ]:
C7H5NaO2

[ Molecular Weight ]:
144.10300

[ Flash Point ]:
122ºC

[ Exact Mass ]:
144.01900

[ PSA ]:
40.13000

[ LogP ]:
1.19060

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4602000
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-, sodium salt
CAS REGISTRY NUMBER :
42887-08-1
LAST UPDATED :
199303
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H5-O2.Na
MOLECULAR WEIGHT :
144.11

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 :
385 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #3149608

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Tropolone

DownStream

  • 2-(2,4,6-trinitrophenoxy)cyclohepta-2,4,6-trien-1-one

Related Compounds

  • indium-111(3+),7-oxocyclohepta-1,3,5-trien-1-olate
  • indium tris(tropolonate)
  • 2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl-di(propan-2-yl)azanium,dichloride
  • N-(7-oxocyclohepta-1,3,5-trien-1-yl)-2-piperidin-1-ylacetamide,hydrochloride
  • N-(7-oxocyclohepta-1,3,5-trien-1-yl)-2-pyrrolidin-1-ylacetamide,hydrochloride
  • SODIUM HINOKITIOL
  • 5-ethynyl-3-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazin-1-yl)-2-methylbenzoic acid
  • (9H-fluoren-9-yl)methyl 4-(3-azido-5-formyl-4-methylphenyl)piperazine-1-carboxylate
  • (9H-fluoren-9-yl)methyl 4-(3-azido-5-formyl-2-methylphenyl)piperazine-1-carboxylate
  • tert-butyl 3-ethynyl-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-2-methylbenzoate
  • tert-butyl 5-ethynyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-2-methylbenzoate
  • tert-butyl 3-ethynyl-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-4-methylbenzoate
  • (9H-fluoren-9-yl)methyl N-{[5-azido-2-methyl-3-(piperazin-1-yl)phenyl]methyl}carbamate
  • (9H-fluoren-9-yl)methyl 4-[3-(aminomethyl)-5-azido-2-methylphenyl]piperazine-1-carboxylate
  • (9H-fluoren-9-yl)methyl 4-[3-(aminomethyl)-5-azido-4-methylphenyl]piperazine-1-carboxylate
  • (9H-fluoren-9-yl)methyl 4-[3-amino-5-(azidomethyl)-4-methylphenyl]piperazine-1-carboxylate
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