2-Fluoro-5-hydroxybenzaldehyde

HCID 587247CAS 103438-84-2

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1cc(O)ccc1F
InChIKey: SNILBNSNKISKLU-UHFFFAOYSA-N
Molecular formula: C7H5FO2
Average molar mass: 140.11 g/mol
Monoisotopic mass: 140.02735762

Names & identifiers

Preferred name: 2-Fluoro-5-hydroxybenzaldehyde
IUPAC: 2-fluoro-5-hydroxybenzaldehyde
English name: 2-Fluoro-5-hydroxybenzaldehyde
Molecular formula: C7H5FO2
Molecular weight: 140.11

Names & synonyms

2-Fluoro-5-hydroxybenzaldehyde103438-84-2DTXSID90343079RefChem:260985DTXCID50294159MFCD09038469BENZALDEHYDE, 2-FLUORO-5-HYDROXY-2-fluoro-5-hydroxy-benzaldehydeSCHEMBL16471492-Fluoro-5-hydroxybenzaldehyde #Benzenaldehyde, 2-fluoro-5-hydroxy-CL8281

Show more names

2-Fluoro-5-hydroxybenzaldehyde, 98%min

AKOS005067736CS-W004997AC-5040MB068912-Fluoro-5-hydroxybenzA1862AM20050104FT-0647531

Database identifiers

CAS: 103438-84-2
PubChem CID: 587247
DTXSID: DTXSID90343079
EC Number: 101-129-6

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Physicochemical properties

Melting point: 74 · 74-75 °C
Boiling point: 257.6 · 257.6±20.0 °C(Predicted)
Density: 1.35 · 1.350±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 9.25 · 9.25±0.18(Predicted)
Appearance: White to light brown Solid
InChI: InChI=1S/C7H5FO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H
InChIKey: SNILBNSNKISKLU-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(O)=CC=C1F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2912490090 · 2912490090

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.