Benzene, 1-((2-chlorocyclohexyl)thio)-2,4-dinitro- (9CI)

Modify Date: 2025-10-31 21:48:19

Benzene, 1-((2-chlorocyclohexyl)thio)-2,4-dinitro- (9CI) structure	Common Name	Benzene, 1-((2-chlorocyclohexyl)thio)-2,4-dinitro- (9CI)
	CAS Number	5330-96-1	Molecular Weight	316.76100
	Density	1.44g/cm3	Boiling Point	465.6ºC at 760 mmHg
	Molecular Formula	C₁₂H₁₃ClN₂O₄S	Melting Point	N/A
	MSDS	N/A	Flash Point	235.4ºC

Name	1-(2-chlorocyclohexyl)sulfanyl-2,4-dinitrobenzene
Synonym	More Synonyms

Density	1.44g/cm3
Boiling Point	465.6ºC at 760 mmHg
Molecular Formula	C₁₂H₁₃ClN₂O₄S
Molecular Weight	316.76100
Flash Point	235.4ºC
Exact Mass	316.02800
PSA	116.94000
LogP	5.19150
Index of Refraction	1.621
InChIKey	LTAJOOMBQCYMBL-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1ccc(SC2CCCCC2Cl)c([N+](=O)[O-])c1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: WQ2976000

CHEMICAL NAME :: Sulfide, 2-chlorocyclohexyl 2,4-dinitrophenyl

CAS REGISTRY NUMBER :: 5330-96-1

LAST UPDATED :: 198107

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H13-Cl-N2-O4-S

MOLECULAR WEIGHT :: 316.78

WISWESSER LINE NOTATION :: L6TJ ASR BNW DNW& BG

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 :: 180 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#01848

Sulfide,2-chlorocyclohexyl 2,4-dinitrophenyl

2-Chlorocyclohexyl 2,4-dinitrophenyl sulfide

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