4-Fluoro-3-hydroxybenzaldehyde

HCID 587792

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Basic information

CAS: 103438-85-3
Standard SMILES: O=Cc1ccc(F)c(O)c1
InChIKey: DOULGHINSFURSM-UHFFFAOYSA-N
Molecular formula: C7H5FO2
Average molar mass: 140.11 g/mol
Monoisotopic mass: 140.02735762

Names & identifiers

Preferred name: 4-Fluoro-3-hydroxybenzaldehyde
IUPAC: 4-fluoro-3-hydroxybenzaldehyde
English name: 4-fluoro-3-hydroxy-benzaldehyde
Molecular formula: C7H5FO2
Molecular weight: 140.11

Names & synonyms

4-Fluoro-3-hydroxybenzaldehyde103438-85-3DTXSID50343156RefChem:523199DTXCID10294236816-992-04-Fluoro-3-hydroxy-benzaldehydeMFCD11110190Benzaldehyde, 4-fluoro-3-hydroxy-SCHEMBL19227743-hydroxy-4-fluoro-benzaldehyde4-Fluoro-3-hydroxybenzaldehyde #

Show more names

CL8356AKOS006306924MB09319AM90008FF79655AS-46019SY014905DB-058994

Database identifiers

CAS: 103438-85-3
PubChem CID: 587792
DTXSID: DTXSID50343156
EC Number: 816-992-0

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: 109 · 109-110 °C
Boiling point: 229.6 · 229.6±20.0 °C(Predicted)
Density: 1.35 · 1.350±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 7.99 · 7.99±0.10(Predicted)
form: solid
color: Beige
InChI: InChI=1S/C7H5FO2/c8-6-2-1-5(4-9)3-7(6)10/h1-4,10H
InChIKey: DOULGHINSFURSM-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(F)C(O)=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+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.