2-Fluoro-4-hydroxybenzaldehyde

HCID 587246

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 348-27-6
Standard SMILES: O=Cc1ccc(O)cc1F
InChIKey: ONRPXRPUBXXCCM-UHFFFAOYSA-N
Molecular formula: C7H5FO2
Average molar mass: 140.11 g/mol
Monoisotopic mass: 140.02735762

Names & identifiers

Preferred name: 2-Fluoro-4-hydroxybenzaldehyde
IUPAC: 2-fluoro-4-hydroxybenzaldehyde
English name: 2-Fluoro-4-hydroxybenzaldehyde
Molecular formula: C7H5FO2
Molecular weight: 140.11

Names & synonyms

2-Fluoro-4-hydroxybenzaldehyde348-27-6DTXSID30343078RefChem:87074DTXCID90294158642-692-2MFCD067979182-Fluoro-4-hydroxy-benzaldehydeBenzaldehyde, 2-fluoro-4-hydroxy-2-Fluoro-4-hydroxybenzaldehyde #CS-W007665PS-9051

Show more names

3-Fluoro-4-formylphenol2-Fluoro-6-nitroacetophenone2-FLURO-4-HYDROXYBENZALDEHYDE2-Fluoro-4-hydroxybenzaldehyde,98%

SY030021EN300-111550Z1201623850A6112FT-0601375SCHEMBL1890184-Hydroxy-2-fluorobenzaldehydeSCHEMBL3810952

Database identifiers

CAS: 348-27-6
PubChem CID: 587246
DTXSID: DTXSID30343078
ChEMBL: CHEMBL1650249
EC Number: 642-692-2
Nikkaji: J2.186.506K

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: 168 · 168-170°C
Boiling point: 254.2 · 254.2±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
form: crystalline powder
pka: 6.78 · 6.78±0.18(Predicted)
color: Light tan
InChI: InChI=1S/C7H5FO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H
InChIKey: ONRPXRPUBXXCCM-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(O)C=C1F
CAS DataBase Reference: 348 · 348-27-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-37/38-41-52
Safety Statements: 26 · 26-39
Hazard Note: Irritant
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)

Aggregated GHS information provided per 37 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2912490090
risk_code: 22-37/38-41-52
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 2 items

Uses2-Fluoro-4-hydroxybenzaldehyde is a useful reagent for preparation of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors.

Uses2-Fluoro-4-hydroxybenzaldehyde is mainly used as an intermediate for physiologically active compounds such as pharmaceuticals or pesticides and is a wide range of organic building blocks. Its structure contains fluorine, aldehyde groups, and phenolic hydroxyl groups, and these groups can add or replace other functional groups.