4-(Benzyloxy)-3-nitrobenzaldehyde

HCID 7023554

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Basic information

CAS: 22955-07-3
Standard SMILES: O=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1
InChIKey: VJANVDWJMIGNFW-UHFFFAOYSA-N
Molecular formula: C14H11NO4
Average molar mass: 257.24 g/mol
Monoisotopic mass: 257.06880783

Names & identifiers

Preferred name: 4-(Benzyloxy)-3-nitrobenzaldehyde
IUPAC: 3-nitro-4-phenylmethoxybenzaldehyde
English name: 4-BENZYLOXY-3-NITRO-BENZALDEHYDE
Molecular formula: C14H11NO4
Molecular weight: 257.24

Names & synonyms

4-(benzyloxy)-3-nitrobenzaldehydeRefChem:515229812-159-022955-07-34-Benzyloxy-3-nitrobenzaldehyde3-nitro-4-phenylmethoxybenzaldehyde4-benzyloxy-3-nitro-benzaldehydeMFCD02629625Benzaldehyde,3-nitro-4-(phenylmethoxy)-SCHEMBL4643645SCHEMBL27751811DTXSID20427513

Show more names

4-(benzyloxy)-3-nitrobenzaldehyde - [AC78179]

VJANVDWJMIGNFW-UHFFFAOYSA-N2-(Benzyloxy)-5-formylnitrobenzene4-phenylmethoxy-3-nitrobenzaldehydeAKOS0032206774-(Benzyloxy)-3-nitrobenzaldehyde97%SY480001Benzaldehyde, 3-nitro-4-(phenylmethoxy)-CS-0360149

Database identifiers

CAS: 22955-07-3
PubChem CID: 7023554
DTXSID: DTXSID20427513
EC Number: 812-159-0

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 309

Physicochemical properties

Melting point: 96 · 96-100 °C(Solv: ethanol (64-17-5))
Boiling point: 441.7 · 441.7±35.0 °C(Predicted)
Density: 1.301 · 1.301±0.06 g/cm3(Predicted)
form: solid
color: Yellow to light brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
HS Code: 2913000090 · 2913000090

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.