2-(5-Bromo-2-fluorophenyl)acetic acid

HCID 3584690

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Basic information

CAS: 883514-21-4
Standard SMILES: O=C(O)Cc1cc(Br)ccc1F
InChIKey: WSWMCZBGQYAYIS-UHFFFAOYSA-N
Molecular formula: C8H6BrFO2
Average molar mass: 233.03 g/mol
Monoisotopic mass: 231.95351975

Names & identifiers

Preferred name: 2-(5-Bromo-2-fluorophenyl)acetic acid
IUPAC: 2-(5-bromo-2-fluorophenyl)acetic acid
English name: 5-Bromo-2-fluorophenylacetic acid
Molecular formula: C8H6BrFO2
Molecular weight: 233.03

Names & synonyms

2-(5-bromo-2-fluorophenyl)acetic acidRefChem:458660810-444-45-Bromo-2-fluorophenylacetic acid883514-21-4MFCD06246020(5-bromo-2-fluorophenyl)acetic acid(5-Bromo-2-fluoro-phenyl)-acetic acid5-Bromo-2-fluorophenylaceticacidBenzeneacetic acid, 5-bromo-2-fluoro-SCHEMBL1351662-(5-bromo-2-fluoro-phenyl)acetic Acid

Show more names

CHEMPACIFIC 359372-Fluoro-5-Bromophenylacetic Acid5-BROMO-2-FLUOROPHENYLACETIC ACID ISO 9001：2015 REACH

DTXSID40393887WSWMCZBGQYAYIS-UHFFFAOYSA-N5-Bromo-2-fluorobenzeneacetic acidCL8796SBB098024AKOS000158190FB63963AS-18778

Database identifiers

CAS: 883514-21-4
PubChem CID: 3584690
DTXSID: DTXSID40393887
EC Number: 810-444-4

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 111 · 111-112°C
Boiling point: 319.6 · 319.6±27.0 °C(Predicted)
Density: 1.697 · 1.697±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.84 · 3.84±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H332 (33.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.