2-Hydroxy-4-nitrobenzaldehyde

HCID 75570

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Basic information

CAS: 2460-58-4
Standard SMILES: O=Cc1ccc([N+](=O)[O-])cc1O
InChIKey: HHDPXULKSZZACU-UHFFFAOYSA-N
Molecular formula: C7H5NO4
Average molar mass: 167.12 g/mol
Monoisotopic mass: 167.02185764

Overview

structure in first source

Names & identifiers

Preferred name: 2-Hydroxy-4-nitrobenzaldehyde
IUPAC: 2-hydroxy-4-nitrobenzaldehyde
English name: 2-Hydroxy-4-nitro-benzaldehyde
Molecular formula: C7H5NO4
Molecular weight: 167.12

Names & synonyms

2-hydroxy-4-nitrobenzaldehyde2460-58-44-Nitrosalicylaldehyde94S8EF8NEFNSC-82622DTXSID80179349RefChem:100152DTXCID60101840219-549-42-Hydroxy-4-Nitro-BenzaldehydeBenzaldehyde, 2-hydroxy-4-nitro-MFCD00049373

Show more names

Salicylaldehyde, 4-nitro-UNII-94S8EF8NEFSCHEMBL918368AKOS006223875SY031966Benzaldehyde,2-hydroxy-4-nitro-NSC 826222-hydroxy-4-nitro benzaldehyde

Database identifiers

CAS: 2460-58-4
PubChem CID: 75570
DTXSID: DTXSID80179349
UNII: 94S8EF8NEF
EC Number: 219-549-4
Nikkaji: J30.757B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Physicochemical properties

Melting point: 128 · 128-130°C
Boiling point: 309.2 · 309.2±32.0 °C(Predicted)
Density: 1.5 · 1.500±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform, Dichloromethane, Methanol,
form: Solid
pka: 6.37 · 6.37±0.19(Predicted)
color: Yellow Crystalline
FDA UNII: 94 S8EF8NEF · 94S8EF8NEF
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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