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

Modify Date: 2025-08-27 18:15:51

1,4-Naphthalenedione, 2-chloro-3-((phenylmethyl)thio)- (9CI) Structure
1,4-Naphthalenedione, 2-chloro-3-((phenylmethyl)thio)- (9CI) structure
Common Name 1,4-Naphthalenedione, 2-chloro-3-((phenylmethyl)thio)- (9CI)
CAS Number 73816-81-6 Molecular Weight 314.78600
Density 1.39g/cm3 Boiling Point 437.6ºC at 760 mmHg
Molecular Formula C17H11ClO2S Melting Point N/A
MSDS N/A Flash Point 218.5ºC

 Names

Name 2-benzylsulfanyl-3-chloronaphthalene-1,4-dione
Synonym More Synonyms

 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

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

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
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