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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 82264Generated: October 23, 2026

1,3-Benzodioxole-4-carboxaldehyde

BENZO[1,3]DIOXOLE-4-CARBALDEHYDE · BUTTPARK 27\02-58 · TIMTEC-BB SBB004074 · 4-FORMYL-1,3-BENZODIOXOLE · Benzodioxole-4-carboxaldehyde · 1, 3-benzdioxo-4-formaldehyde · 1,3-BENZODIOXOLE-4-CARBALDEHYDE · 1,3-Benzenedioxy-4-carbaldehyde

https://huagongshe.com/en/chemical/82264

1,3-Benzodioxole-4-carboxaldehyde molecular structure

Identifiers & Physical Properties

CAS No.7797-83-3
Molecular formulaC8H6O3
Average molar mass150.13 g/mol
Monoisotopic mass150.03169405 g/mol
SMILESO=Cc1cccc2c1OCO2
InChIKeyQZMQKPGVXNSITP-UHFFFAOYSA-N
PubChem CID82264
ChEMBLCHEMBL4435114
EC No.232-252-4
DTXSIDDTXSID90228635

Chemical & Physical Properties

XLogP1.2
Topological polar surface area35.5
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds1
Heavy atoms11
Formal charge0
Complexity157
Melting point34-36 °C(lit.)
Boiling point80 °C0.3 mm Hg(lit.)
Density1.312 g/mL at 25 °C(lit.)
Refractive index1.4500 (estimate)
Flash point>230 °F
Storage conditionsKeep in dark place,Sealed in dry,Room Temperature
SolubilityChloroform (Sparingly), Methanol (Slightly)
Physical stateSolid
ColorWhite to Pale Yellow
BRN125644
InChIInChI=1S/C8H6O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-4H,5H2
InChIKeyQZMQKPGVXNSITP-UHFFFAOYSA-N
SMILESO1C2=CC=CC(C=O)=C2OC1
CAS DataBase Reference7797-83-3(CAS DataBase Reference)
EWG's Food Scores1
FDA UNII87T3RQM2CS
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319
GHS precautionary statementsP264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Safety statements (S)22-24/25
Water hazard class (WGK)3
RTECS numberDF4912450
Customs code29329990
Storage class11 - Combustible Solids
ToxicityTDLo orl-rat: 12.8 mg/kg BIPBU* 24,1277,2001

Safety & Regulations

GHS classificationWarningH315 (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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Water hazard class (WGK)3
RTECS numberDF4912450
Customs code29329990
ToxicityTDLo orl-rat: 12.8 mg/kg BIPBU* 24,1277,2001
Signal wordWarning
GHS pictogramGHS07
Safety statements (S)22-24/25
Storage class11 - Combustible Solids
GHS hazard statementsH315-H319
GHS precautionary statementsP264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313