4-Bromo-2-chlorobenzaldehyde

HCID 14109109CAS 158435-41-7

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1ccc(Br)cc1Cl
InChIKey: DHGPLNJITGVCSG-UHFFFAOYSA-N
Molecular formula: C7H4BrClO
Average molar mass: 219.46 g/mol
Monoisotopic mass: 217.91340453

Names & identifiers

Preferred name: 4-Bromo-2-chlorobenzaldehyde
IUPAC: 4-bromo-2-chlorobenzaldehyde
English name: 2-Chloro-4-bromobenzaldehyde
Molecular formula: C7H4BrClO
Molecular weight: 219.46

Names & synonyms

4-BROMO-2-CHLOROBENZALDEHYDE158435-41-7DTXSID00555969RefChem:290690DTXCID80506752681-460-52-Chloro-4-bromobenzaldehydeBenzaldehyde, 4-bromo-2-chloro-MFCD087414134-bromo-2-chloroebenzaldehydeSCHEMBL141039PS-7883

Show more names

Chloro-4-bromobenzaldehydeBenzaldehyde,4-broMo-2-chloro-4-Bromo-2-chlorobenzaldehyde >2-Chloro-4-broMobenzaldehyde, 95+%2-Chloro-4-bromobenzaldehyde, 97%min

4-bromo-2-chlorobenzaldehyde, AldrichCPRBP-115144-Bromo-2-chloro-benzaldehydeA3491AM20060028FT-0649371A809930SCHEMBL7022727

Database identifiers

CAS: 158435-41-7
PubChem CID: 14109109
DTXSID: DTXSID00555969
EC Number: 681-460-5

Properties

Computed structural properties

XLogP: 2.7
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: 129

Physicochemical properties

Melting point: 74 · 74-76℃
Boiling point: 271.3 · 271.3±25.0 °C(Predicted)
Density: 1.698 · 1.698±0.06 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: soluble in Methanol
form: powder to crystal
color: White to Orange to Green
Sensitive: Air Sensitive
CAS DataBase Reference: 158435 · 158435-41-7(CAS DataBase Reference)
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
Hazard Codes: C,Xn
Risk Statements: 22 · 22
Hazard Note: Corrosive
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

Safety data

hs_code: 2913000090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C,Xn
hazard_note: Corrosive
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses4-Bromo-2-chlorobenzaldehyde is a useful research chemical for organic synthesis and other chemical processes.4-Bromo-2-chlorobenzaldehyde is used in preparation of Heterocyclic compounds as P2X3 antagonist and its intermediate.