3-Bromo-5-fluorobenzaldehyde

HCID 21986246

Notes Reactions

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Basic information

CAS: 188813-02-7
Standard SMILES: O=Cc1cc(F)cc(Br)c1
InChIKey: MEFQRXHVMJPOKZ-UHFFFAOYSA-N
Molecular formula: C7H4BrFO
Average molar mass: 203.01 g/mol
Monoisotopic mass: 201.94295507

Names & identifiers

Preferred name: 3-Bromo-5-fluorobenzaldehyde
IUPAC: 3-bromo-5-fluorobenzaldehyde
English name: 3-BROMO-5-FLUOROBENZALDEHYDE
Molecular formula: C7H4BrFO
Molecular weight: 203.01

Names & synonyms

3-bromo-5-fluorobenzaldehyde188813-02-7DTXSID70621206RefChem:277574DTXCID80571960801-243-23-fluoro-5-bromobenzaldehydeBenzaldehyde, 3-bromo-5-fluoro-3-bromo-5-fluoro-benzaldehydeMFCD04116319SCHEMBL613761CS-W008160

Show more names

3-Bromo-5-fluorobenzaldehyde98%3-Bromo-5-fluorobenzaldehyde 98%3-BROMO-5-FLUOROBENZALDEHYDE ISO 9001：2015 REACH

AC-2293DS-1628Z1079442710AM61813A4172BB 02600315-Fluoro-3-bromobenzaldehydeSCHEMBL27574747

Database identifiers

CAS: 188813-02-7
PubChem CID: 21986246
DTXSID: DTXSID70621206
EC Number: 801-243-2
Nikkaji: J3.513.375E

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Physicochemical properties

Melting point: 41 · 41-43℃
Boiling point: 231 · 231.0±20.0 °C(Predicted)
Density: 1.43 · 1.43
storage temp.: 2 · Inert atmosphere,2-8°C
form: Solid
Appearance: 43 °C · White to yellow 43°C Liquid
Water Solubility: Slightly soluble in water.
Sensitive: Light Sensitive
CAS DataBase Reference: 188813 · 188813-02-7(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: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2913000090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses3-Bromo-5-fluorobenzaldehyde is an intermediate in organic syntheses. Reatant in the synthesis of 3,4-diamino-3-cyclobutene-1,2-diones, 9,10-Dihydro-9,10-diboraanthracenes.