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
InChIKey MZJPVYZIMKYPCN-UHFFFAOYSA-N
SMILES O=C1C(Cl)=C(SCc2ccccc2)C(=O)c2ccccc21

 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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