1,4-Naphthalenedione, 2-chloro-3-((phenylmethyl)thio)- (9CI)

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Names

[ CAS No. ]:
73816-81-6

[ Name ]:
1,4-Naphthalenedione, 2-chloro-3-((phenylmethyl)thio)- (9CI)

[Synonym ]:
1,4-NAPHTHOQUINONE,2-BENZYLTHIO-3-CHLORO
2-Chloro-3-benzylmercapto-1,4-naphthoquinone
2-Benzylthio-3-chloro-1,4-naphthoquinone
2-benzylmercapto-3-chloro-1,4-naphthoquinone
1,2-benzylthio-3-chloro

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
437.6ºC at 760 mmHg

[ Molecular Formula ]:
C17H11ClO2S

[ Molecular Weight ]:
314.78600

[ Flash Point ]:
218.5ºC

[ Exact Mass ]:
314.01700

[ PSA ]:
59.44000

[ LogP ]:
4.44940

[ Index of Refraction ]:
1.679

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QL7360000
CHEMICAL NAME :
1,4-Naphthoquinone, 2-benzylthio-3-chloro-
CAS REGISTRY NUMBER :
73816-81-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H11-Cl-O2-S
MOLECULAR WEIGHT :
314.79
WISWESSER LINE NOTATION :
L66 BV EVJ CS1R& DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05119

Synthetic Route

Precursor & DownStream

Precursor

  • 2,3-Dichlor-1,4-naphthochinone
  • benzylthiol

DownStream


Related Compounds

  • Methyl (5S,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
  • Tert-butyl 2-(furan-2-yl)-1,3-thiazolidine-4-carboxylate
  • Tert-butyl 3-phenylpyrrolidine-3-carboxylate
  • 5-(Difluoromethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
  • Ethyl 5-methyl-2-piperidin-3-yl-1H-imidazole-4-carboxylate
  • Tert-butyl 4-prop-2-enylpiperidine-4-carboxylate
  • Tert-butyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate
  • 2-Isocyano-4,6-dimethylpyridine
  • (2S)-3-Cyclopropyl-2,3-dimethylbutan-1-amine
  • Methyl 3-(difluoromethyl)pyrrolidine-3-carboxylate
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