3,5-Dihydroxybenzaldehyde (HCID 94365)

Overview

3,5-dihydroxybenzaldehyde is a dihydroxybenzaldehyde.

Names & identifiers

Preferred name: 3,5-Dihydroxybenzaldehyde
IUPAC: 3,5-dihydroxybenzaldehyde
English name: 3,5-Dihydroxybenzaldehyde
Molecular formula: C7H6O3
Molecular weight: 138.12

Names & synonyms

3,5-Dihydroxybenzaldehyde26153-38-8Benzaldehyde, 3,5-dihydroxy-EINECS 247-479-4DTXSID60180776.alpha.-Resorcylic aldehydeCHEBI:50204RefChem:91543alpha-Resorcylic aldehydeDTXCID00103267247-479-4HAQLHRYUDBKTJG-UHFFFAOYSA-N

Show more names

yde3,5-DihydroxybenzaLTerbutaline Impurity 433,5-DIHYDOXYBENZAL DEHYDE3,5-2-hydroxybenzaldehyde3,5-Dihydroxybenzaldehyde,98%3,5-Dihydroxybenzaldehyde 98%

InChI=1/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10MFCD000166113,5-dihydroxy benzaldehydeSCHEMBL37131AKOS005258327CS-W007416AS-32854PD131130

Database identifiers

CAS: 26153-38-8
PubChem CID: 94365
DTXSID: DTXSID60180776
ChEBI: CHEBI:50204
UNII: P9FU6Z2MAA
EC Number: 247-479-4
Nikkaji: J20.078F

Properties

Computed structural properties

XLogP: 0.7
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: 114

Physicochemical properties

Melting point: 153 · 153-158 °C (lit.)
Boiling point: 324.3 · 324.3±12.0 °C(Predicted)
Density: 1.409 · 1.409±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in ethanol and diethyl ether.
form: Crystalline Powder
pka: 8.73 · 8.73±0.10(Predicted)
color: White to tan to gray
Sensitive: Air Sensitive
BRN: 1930147 · 1930147
InChI: InChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H
InChIKey: HAQLHRYUDBKTJG-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(O)=CC(O)=C1
LogP: 0.973 · 0.973 (est)
CAS DataBase Reference: 26153 · 26153-38-8(CAS DataBase Reference)
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-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-22
Safety Statements: 22 · 22-24/25-37/39-26
WGK Germany: 3 · 3
HazardClass: IRRITANT, AIR SENSITIVE
HS Code: 29124990 · 29124990
Storage Class: 11 · 11 - Combustible Solids

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 5 reports by companies from 2 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

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29124990
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-24/25-37/39-26
hazard_class: IRRITANT, AIR SENSITIVE
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 4 items

Uses3,5-Dihydroxybenzaldehyde, is a benzaldehyde derivative, that can be used as a building block in the synthesis of more complex structures. It is used in the synthesis of Terbutaline, which is an important bronchodilator.

Description3,5-Dihydroxybenzaldehyde is a building block. It has been used in the synthesis of 2,4-dimethylbenzoylhydrazones with antileishmanial and antioxidant activities.

Uses3,5-Dihydroxybenzaldehyde is suitable for use in the synthesis of 3,5-dihydroxyphenylglycine (3,5-DHPG). It may be used in the synthesis of:fulgide73,5-bis(undeca-4,6-diynyloxy)benzaldehyde3,5-didodecyloxybenzaldehyde1′-methyl-1′,5′-dihydro-2′-(3,5-bis(undeca-4,6-diynyloxy)phenyl)-1H-pyrrolo[3′,4′:1,9](C60-Ih)[5,6]fullerene (F2D)

General DescriptionCondensation of isopropyl ethers of p-hydroxyphenyl acetic acid and 3,5-dihydroxybenzaldehyde has been reported.