CAS 86265-88-5 3-Bromo-4-chlorobenzaldehyde (HCID 14049809)

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Basic information

CAS: 86265-88-5
Standard SMILES: O=Cc1ccc(Cl)c(Br)c1
InChIKey: AKDABJGHOOCVKX-UHFFFAOYSA-N
Molecular formula: C7H4BrClO
Average molar mass: 219.46 g/mol
Monoisotopic mass: 217.91341

Names & identifiers

Preferred name: 3-Bromo-4-chlorobenzaldehyde
IUPAC: 3-bromo-4-chlorobenzaldehyde
English name: 3-Bromo-4-chloro-benzaldehyde
Molecular formula: C7H4BrClO
Molecular weight: 219.46

Names & synonyms

3-Bromo-4-chlorobenzaldehyde86265-88-5DTXSID20555082RefChem:277431DTXCID20505865855-332-63-Bromo-4-Chloro-BenzaldehydeMFCD08059100AKOS015834635CS-W005074AC-169414EN300-119276

Show more names

Benzaldehyde, 3-bromo-4-chloro-Z1269163997AM62281A240984-chloro-3-bromobenzaldehydeSCHEMBL671268SCHEMBL297237413-Bromo-4-chlorobenzaldehyde, AldrichCPR

Database identifiers

CAS: 86265-88-5
PubChem CID: 14049809
DTXSID: DTXSID20555082
EC Number: 855-332-6

Properties

Computed structural properties

XLogP: 2.6
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: 70 ℃ · 70℃
Boiling point: 277.8 · 277.8±20.0℃ (760 Torr)
Density: 1.698 · 1.698±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 121.8 · 121.8±21.8℃
storage temp.: 2 · Inert atmosphere,2-8°C
form: solid
color: White
InChI: InChI=1S/C7H4BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
InChIKey: AKDABJGHOOCVKX-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(Cl)C(Br)=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2913000090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses3-BROMO-4-CHLORO-BENZALDEHYDE can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.