2,5-Dichlorobenzaldehyde

HCID 80702CAS 6361-23-5

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1cc(Cl)ccc1Cl
InChIKey: BUXHYMZMVMNDMG-UHFFFAOYSA-N
Molecular formula: C7H4Cl2O
Average molar mass: 175.01 g/mol
Monoisotopic mass: 173.96392011

Names & identifiers

Preferred name: 2,5-Dichlorobenzaldehyde
IUPAC: 2,5-dichlorobenzaldehyde
English name: 2,5-DICHLOROBENZALDEHYDE
Molecular formula: C7H5Cl2NO
Molecular weight: 190.03

Names & synonyms

2,5-Dichlorobenzaldehyde6361-23-5Benzaldehyde, 2,5-dichloro-DTXSID30212992EINECS 228-832-180959-18-8RefChem:4443292,5-dichloro-oximeBenzaldehydeDTXCID60135483112-096-2228-832-12,5-dichloro-benzaldehyde

Show more names

Benzaldehyde, 2,5-dichloro-, oxime

MFCD001561402.5-Dichlorbenzaldehyd2,5-dichlorbenzaldehydePS-3370BP-10343SY004807F0001-1729A24094

Database identifiers

CAS: 6361-23-5、80959-18-8
PubChem CID: 80702
DTXSID: DTXSID30212992
EC Number: 112-096-2、228-832-1
Nikkaji: J81.204H

Properties

Computed structural properties

XLogP: 2.9
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

Boiling point: 282.085 · 282.085±30.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.385 · 1.385±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 10.199 · 10.199±0.10(predicted)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H314 (15.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]