4-Chloro-2-hydroxybenzaldehyde

HCID 520101

Notes Reactions

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Basic information

CAS: 2420-26-0
Standard SMILES: O=Cc1ccc(Cl)cc1O
InChIKey: QNZWAJZEJAOVPN-UHFFFAOYSA-N
Molecular formula: C7H5ClO2
Average molar mass: 156.56 g/mol
Monoisotopic mass: 155.99780708

Names & identifiers

Preferred name: 4-Chloro-2-hydroxybenzaldehyde
IUPAC: 4-chloro-2-hydroxybenzaldehyde
English name: 4-Chloro-2-hydroxybenzaldehyde
Molecular formula: C7H5ClO2
Molecular weight: 156.57

Names & synonyms

4-Chloro-2-hydroxybenzaldehyde2420-26-0DTXSID50334246RefChem:521085DTXCID60285336695-765-64-Chloro-2-hydroxy-benzaldehyde4-chlorosalicylaldehydeBenzaldehyde, 4-chloro-2-hydroxy-MFCD062524992-hydroxy-4-chlorobenzaldehydeSCHEMBL1019524

Show more names

4-Chlorosalicylaldehy4-Chlorosalicylaldehyde >4-chloro-2-hydoxybenzaldehye4-chloro-2-hydoxybenzaldehyde4-Chloro-2-hydroxybenzaldehyde 98%4-Chloro-2-hydroxy-benzaldehyde ,97%

AB23660EN300-98543A4998SCHEMBL8333206CL8340SBB052140STL556943AKOS005259160

Database identifiers

CAS: 2420-26-0
PubChem CID: 520101
DTXSID: DTXSID50334246
EC Number: 695-765-6
Nikkaji: J731.104D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 45 to · 45.0 to 49.0 °C
Boiling point: 229.1 · 229.1±20.0 °C(Predicted)
Density: 1.404 · 1.404±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Solid
pka: 7.21 · 7.21±0.10(Predicted)
color: Off-White to Pale Brown
InChI: InChI=1S/C7H5ClO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H
InChIKey: QNZWAJZEJAOVPN-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(Cl)C=C1O
CAS DataBase Reference: 2420 · 2420-26-0
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xn
Risk Statements: 22 · 22
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)

Aggregated GHS information provided per 4 reports by companies from 4 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: 2913000090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 1 item

Uses4-Chloro-2-hydroxybenzaldehyde is an intermediate used to prepare benzodiazepine diones as Hdm2 antagonists. It is also used to synthesize hydroxy-dimethyl-oxo-cyclohexenyl-dimethyl-tetrahydro-xanthenone as oral neuropeptide Y5 receptor antagonist.