2,3-Dihydroxybenzaldehyde (HCID 90579)

Overview

2,3-dihydroxybenzaldehyde is a dihydroxybenzaldehyde.

Names & identifiers

Preferred name: 2,3-Dihydroxybenzaldehyde
IUPAC: 2,3-dihydroxybenzaldehyde
English name: 2,3-Dihydroxybenzaldehyde
Molecular formula: C7H6O3
Molecular weight: 138.12

Names & synonyms

2,3-Dihydroxybenzaldehyde24677-78-9o-Pyrocatechualdehyde5,6-DihydroxybenzaldehydeGP9HDE43LENSC-146456CHEBI:50197DTXSID90179411RefChem:81763DTXCID20101902246-398-1Benzaldehyde, 2,3-dihydroxy-

Show more names

3-FormylcatecholTIMTEC-BB SBB0041902,3-DihydroxybenzaL2,3-Dihydroxybenzald2,3-Dihydroxybenealdehyde

MFCD000033243-Formyl-1,2-benzenediol1,2-Dihydroxy-3-formylbenzeneBenzaldehyde, dihydroxy-dihydroxybenzaldehydeEINECS 246-398-1NSC 1464563-hydroxysalicylaldehyde

Database identifiers

CAS: 24677-78-9
PubChem CID: 90579
DTXSID: DTXSID90179411
ChEMBL: CHEMBL491995
ChEBI: CHEBI:50197
UNII: GP9HDE43LE
EC Number: 246-398-1
Nikkaji: J88.291G

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 124

Physicochemical properties

Melting point: 104 · 104-108 °C (lit.)
Boiling point: 120 °C · 120 °C / 16mmHg
Density: 1 · 1,542g/cm
refractive index: 1.46 · 1.4600 (estimate)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: 95 % · 95% ethanol: soluble50mg/mL, clear, colorless to greenish-yellow
form: Crystalline Powder
pka: 8.01 · 8.01±0.10(Predicted)
color: Light yellow to beige-greenish
Sensitive: Air Sensitive
BRN: 2041781 · 2041781
InChI: 1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H
InChIKey: IXWOUPGDGMCKGT-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cccc(O)c1O
LogP: 1.325 · 1.325 (est)
CAS DataBase Reference: 24677 · 24677-78-9(CAS DataBase Reference)
FDA UNII: 9 HDE43LE · GP9HDE43LE
NIST Chemistry Reference: 2 · 2,3-Dihydroxybenzaldehyde(24677-78-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
F: 10 · 10-23
HS Code: 29124900 · 29124900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 48 reports by companies from 7 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

F: 10-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29124900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses2,3-disubstituted benzaldehyde.

Uses2,3-Dihydroxybenzaldehyde was used in the synthesis of copper(II) complexes of Schiff bases. It was also used in the synthesis of 2-ethoxy-3-hydroxy-4-nitrobenzoic acid.

General DescriptionElectrochemical oxidation of 2,3-dihydroxybenzaldehyde in methanol at various pH has been studied using cyclic voltammetry and controlled-potential coulometry.

Upstream & downstream products

Upstream raw materials

Downstream products

2,3-(METHYLENEDIOXY)BENZALDEHYDE 3-PYRROLIDIN-1-YLACRYLIC ACID METHYL ESTER 3-Hydroxy-2-methoxybenzaldehyde 2-Methoxy-3-methylphenol Decarine 1,3-BENZODIOXOLE-4-CARBOXYLIC ACID 4-Ethylresorcinol 3-Methoxysalicylaldehyde 2,3-Dimethoxybenzaldehyde Benzaldehyde, 6-bromo-3-hydroxy-2-methoxy-

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]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: 2,3-dihydroxybenzaldehyde is a dihydroxybenzaldehyde.

Related reactions

80 records

New reaction record

HRID 37546As productuspto-grants-1995_05

HRID 37547As reactantuspto-grants-1995_05

HRID 104057As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 124850As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138249As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 164280As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 178352As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 223835As reactantImidazopyridines dataset

Linked notes

Loading…

Basic information