1,2-Dimethoxy-4-(2-nitrovinyl)benzene

HCID 709688

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Basic information

CAS: 22568-47-4
Standard SMILES: COc1ccc(/C=C/[N+](=O)[O-])cc1OC
InChIKey: SYJMYDMKPSZMSB-AATRIKPKSA-N
Molecular formula: C10H11NO4
Average molar mass: 209.2 g/mol
Monoisotopic mass: 209.06880783

Names & identifiers

Preferred name: 1,2-Dimethoxy-4-(2-nitrovinyl)benzene
IUPAC: 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
English name: Benzene, 1,2-dimethoxy-4-[(1E)-2-nitroethenyl]-
Molecular formula: C10H11NO4
Molecular weight: 209.2

Names & synonyms

1,2-dimethoxy-4-(2-nitrovinyl)benzeneRefChem:411722668-229-44230-93-73,4-Dimethoxy-b-nitrostyrene1,2-Dimethoxy-4-[(E)-2-nitroethenyl]benzene22568-47-43,4-Dimethoxy-beta-nitrostyreneMFCD00024823CHEMBL5944043,4-Dimethoxy-.beta.-nitrostyrene3,4-dimethoxynitrostyrene

Show more names

Benzene, 1,2-dimethoxy-4-[(1E)-2-nitroethenyl]-

3,4-Dimethoxy-ss-nitrostyrene(E)-1,2-dimethoxy-4-(2-nitrovinyl)benzene1,2-dimethoxy-4-[(1E)-2-nitroethenyl]benzene1,2-Dimethoxy-4-[(E)-2-nitrovinyl]benzene1-(3,4-dimethoxyphenyl)-2-nitroetheneEthylene, 1-[3,4-(dimethoxy)phenyl]-2-nitro-benzene, 1,2-dimethoxy-4-[(E)-2-nitroethenyl]-1,2-dimethoxy-4-(2-nitro-vinyl)-benzene

Database identifiers

CAS: 22568-47-4、4230-93-7
PubChem CID: 709688
DTXSID: DTXSID801037367
ChEMBL: CHEMBL594404
EC Number: 668-229-4
Nikkaji: J305.338E、J445.191K

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 64.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 236

Physicochemical properties

Melting point: 140 °C · 140 °C
Boiling point: 343.9 · 343.9±27.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (13.6%): 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)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.