3-(4-hydroxy-3-methoxy-phenyl)-2-nitro-prop-2-enenitrile

Modify Date: 2025-09-21 13:52:46

3-(4-hydroxy-3-methoxy-phenyl)-2-nitro-prop-2-enenitrile structure	Common Name	3-(4-hydroxy-3-methoxy-phenyl)-2-nitro-prop-2-enenitrile
	CAS Number	58046-27-8	Molecular Weight	220.18200
	Density	1.386g/cm3	Boiling Point	384.2ºC at 760 mmHg
	Molecular Formula	C₁₀H₈N₂O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	186.2ºC

Name	(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-nitroprop-2-enenitrile
Synonym	More Synonyms

Density	1.386g/cm3
Boiling Point	384.2ºC at 760 mmHg
Molecular Formula	C₁₀H₈N₂O₄
Molecular Weight	220.18200
Flash Point	186.2ºC
Exact Mass	220.04800
PSA	99.07000
LogP	2.06518
Index of Refraction	1.629
InChIKey	VFBDDOROPMRGEH-YWEYNIOJSA-N
SMILES	COc1cc(C=C(C#N)[N+](=O)[O-])ccc1O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GE1459200

CHEMICAL NAME :: Cinnamonitrile, 4-hydroxy-3-methoxy-alpha-nitro-

CAS REGISTRY NUMBER :: 58046-27-8

BEILSTEIN REFERENCE NO. :: 3142542

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H8-N2-O4

MOLECULAR WEIGHT :: 220.20

WISWESSER LINE NOTATION :: WNYCN&U1R DQ CO1

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#09484

2-Propenenitrile,3-(4-hydroxy-3-methoxyphenyl)-2-nitro

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