2-(4-Bromo-2-chlorophenoxy)acetic acid

HCID 693157CAS 77228-67-2

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)COc1ccc(Br)cc1Cl
InChIKey: VCDBRFZHSIYFRO-UHFFFAOYSA-N
Molecular formula: C8H6BrClO3
Average molar mass: 265.49 g/mol
Monoisotopic mass: 263.91888383

Names & identifiers

Preferred name: 2-(4-Bromo-2-chlorophenoxy)acetic acid
IUPAC: 2-(4-bromo-2-chlorophenoxy)acetic acid
English name: (4-BROMO-2-CHLOROPHENOXY)ACETIC ACID
Molecular formula: C8H6BrClO3
Molecular weight: 265.49

Names & synonyms

2-(4-bromo-2-chlorophenoxy)acetic acidRefChem:456905867-619-377228-67-2(4-bromo-2-chlorophenoxy)acetic acidMFCD034222014-bromo-2-chlorophenoxyacetic acidSCHEMBL3203787DTXSID50351190AE-848/362290234-bromo-2-chloro-phenoxyacetic acidBBL014305

Show more names

Acetic acid, 2-(4-bromo-2-chlorophenoxy)-2-(4-bromo-2-chloro-phenoxy)ethanoic acid(4-bromo-2-chlorophenoxy)acetic acid(SALTDATA: FREE)

SCHEMBL1097112ALBB-000794SBB001029STK081432AKOS000308414(4-bromo-2-chloro-phenoxy)-acetic acid2-(4-bromo-2-chloro-phenoxy)acetic acidST035638

Database identifiers

CAS: 77228-67-2
PubChem CID: 693157
DTXSID: DTXSID50351190
EC Number: 867-619-3

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 188

Physicochemical properties

storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.