2,3-Dichlorobenzaldehyde

HCID 35745

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 31155-09-6
Standard SMILES: O=Cc1cccc(Cl)c1Cl
InChIKey: LLMLNAVBOAMOEE-UHFFFAOYSA-N
Molecular formula: C7H4Cl2O
Average molar mass: 175.01 g/mol
Monoisotopic mass: 173.96392011

Names & identifiers

Preferred name: 2,3-Dichlorobenzaldehyde
IUPAC: 2,3-dichlorobenzaldehyde
English name: dichlorobenzaldehyde
Molecular formula: C7H4Cl2O
Molecular weight: 175.01

Names & synonyms

2,3-Dichlorobenzaldehyde6334-18-5Benzaldehyde, 2,3-dichloro-H6GN7Q4PCSNSC-28450DTXSID7064239RefChem:1059335DTXCID7043823228-711-3DICHLOROBENZALDEHYDEBenzaldehyde, dichloro-31155-09-6

Show more names

MFCD00010127NSC 28450Ixazomib Impurity 13CCRIS 8612dichlorbenzaldehydO-Acetylflupentixol Hydrochloride; Benzaldehyde, 2,3-dichloro-; 2,3-Dichlorobenzaldehyde; NSC 28450EINECS 228-711-3EINECS 250-492-8

Database identifiers

CAS: 31155-09-6、6334-18-5
PubChem CID: 35745
DTXSID: DTXSID7064239
ChEMBL: CHEMBL4645306
UNII: H6GN7Q4PCS
EC Number: 228-711-3、250-492-8
Nikkaji: J81.194G

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Physicochemical properties

EPA Substance Registry System: Benzaldehyde, dichloro- (31155-09-6)
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (53%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 100 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.