CAS 1860-56-6 2-Methoxy-4-(2-nitroethenyl)-1-(phenylmethoxy)benzene (HCID 15828)

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Basic information

CAS: 1860-56-6
Standard SMILES: COc1cc(C=C[N+](=O)[O-])ccc1OCc1ccccc1
InChIKey: YDGNRJKNDGBMCL-UHFFFAOYSA-N
Molecular formula: C16H15NO4
Average molar mass: 285.29 g/mol
Monoisotopic mass: 285.10010796

Names & identifiers

Preferred name: 2-Methoxy-4-(2-nitroethenyl)-1-(phenylmethoxy)benzene
IUPAC: 2-methoxy-4-(2-nitroethenyl)-1-phenylmethoxybenzene

Names & synonyms

2-Methoxy-4-(2-nitroethenyl)-1-(phenylmethoxy)benzeneRefChem:2625471860-56-64-Benzyloxy-3-methoxy-beta-nitrostyrene4-benzyloxy-3-methoxynitrostyreneOprea1_8577232-methoxy-4-(2-nitroethenyl)-1-phenylmethoxybenzeneSCHEMBL51858132-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxy-benzeneYDGNRJKNDGBMCL-UHFFFAOYSA-NDTXSID101214201AKOS030239771

Show more names

4-(benzyloxy)-3-methoxy--nitrostyreneDB-054575DB-2530851-benzyloxy-2-methoxy-4-(2-nitrovinyl)benzene1-(benzyloxy)-2-methoxy-4-(2-nitroethenyl)benzene

Database identifiers

CAS: 1860-56-6
PubChem CID: 15828
DTXSID: DTXSID101214201
EC Number: 631-591-9

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 64.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 347

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.