2,4-Dihydroxybenzaldehyde

HCID 7213CAS 95-01-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ccc(O)cc1O
InChIKey
IUNJCFABHJZSKB-UHFFFAOYSA-N
Molecular formula
C7H6O3
Average molar mass
138.12 g/mol
Monoisotopic mass
138.03169405

Overview

2,4-dihydroxybenzaldehyde is a dihydroxybenzaldehyde that is resorcinol which has been substituted by a formyl group para to one of the hydroxy groups.

Names & identifiers

Preferred name
2,4-Dihydroxybenzaldehyde
IUPAC
2,4-dihydroxybenzaldehyde
English name
2,4-Dihydroxybenzaldehyde
Molecular formula
C7H6O3
Molecular weight
138.12

Names & synonyms

2,4-DIHYDROXYBENZALDEHYDE95-01-2beta-ResorcylaldehydeBenzaldehyde, 2,4-dihydroxy-b-resorcylaldehyde.beta.-Resorcylaldehydebeta-Rosorcaldehyde2,4-Dihydroxybenzaldehydb-ResorcaldehydeUNII-772JOF6LZSb-ResorcinaldehydeEINECS 202-383-1
Show more names
4-HydroxysalicylaldehydeBETA-RESORCYLIC ALDEHYDE2,4-Dihydroxybenzaldehyde(-Resorcylaldehyde)NC 012NSC 86904-DihydroxAKOS 227-33β-ResorcaldehydeAKOS BBS-00003187
772JOF6LZSBRN 0878548b-Resorcylic aldehydeCHEBI:50198AI3-24367NSC-8690DTXSID80218064-08-00-01753 (Beilstein Handbook Reference)

Database identifiers

CAS
95-01-2
PubChem CID
7213
DTXSID
DTXSID8021806
ChEMBL
CHEMBL243587
ChEBI
CHEBI:50198
UNII
772JOF6LZS
EC Number
202-383-1
Nikkaji
J4.706F

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesAngular frequency
Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
135 · 135-137 °C (lit.)
Boiling point
220 · 220-228 °C/22 mmHg (lit.)
Density
1.2667 · 1.2667 (rough estimate)
refractive index
1.46 · 1.4600 (estimate)
Flash point
220 °C/22mm · 220°C/22mm
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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, 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 53 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzaldehyde, 2,4-dihydroxy-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
tsca
TSCA listed
rtecs
VH3600000
hs_code
29124900
risk_code
22-36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 2,4-dihydroxy-: ACTIVE
Applications · 3 items

Uses2,4-Dihydroxybenzaldehyde is usually used in two-step synthesis of ethyl 3,5-dibromo-2,4-dihydroxycinnamate.

Description2,4-Dihydroxybenzaldehyde is a resorcinol (R144700) derivative with potent antioxidative and antibacterial activity.

General Description2,4-Dihydroxybenzaldehyde undergoes regioselective mono-benzylation reaction under extremely mild basic conditions. It undergoes condensation reaction with isonicotinic acid hydrazide in methanol to yield 2,4-dihydroxybenzaldehyde isonicotinoyl hydrazone, a new fluorescent reagent.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Additional notes

DefinitionChEBI: 2,4-dihydroxybenzaldehyde is a dihydroxybenzaldehyde that is resorcinol which has been substituted by a formyl group para to one of the hydroxy groups.

Related reactions

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Linked notes

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