1-Methyl-4-(2-nitroethenyl)benzene

HCID 286735

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Basic information

CAS: 7559-36-6
Standard SMILES: Cc1ccc(C=C[N+](=O)[O-])cc1
InChIKey: JSPNBERPFLONRX-UHFFFAOYSA-N
Molecular formula: C9H9NO2
Average molar mass: 163.17 g/mol
Monoisotopic mass: 163.06332853

Names & identifiers

Preferred name: 1-Methyl-4-(2-nitroethenyl)benzene
IUPAC: 1-methyl-4-(2-nitroethenyl)benzene

Names & synonyms

1-methyl-4-(2-nitroethenyl)benzeneRefChem:434325830-499-81-methyl-4-(2-nitrovinyl)benzene7559-36-61-methyl-4-(2-nitro-vinyl)-benzene4-METHYL-BETA-NITROSTYRENEMaybridge1_006903SCHEMBL3661221-nitro-2-(p-tolyl)-ethenetrans-4-Methyl-|A-nitrostyreneDTXSID20879770

Show more names

JSPNBERPFLONRX-UHFFFAOYSA-NAKOS0172688541-Methyl-4-(2-nitroethen-1-yl)benzeneDB-019254

Database identifiers

CAS: 7559-36-6
PubChem CID: 286735
DTXSID: DTXSID20879770
EC Number: 830-499-8

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 175

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.