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

HCID 730302

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Basic information

CAS: 77228-66-1
Standard SMILES: O=C(O)COc1ccc(Cl)cc1Br
InChIKey: IQFPVGBBDOCAMI-UHFFFAOYSA-N
Molecular formula: C8H6BrClO3
Average molar mass: 265.49 g/mol
Monoisotopic mass: 263.91888383

Names & identifiers

Preferred name: 2-(2-Bromo-4-chlorophenoxy)acetic acid
IUPAC: 2-(2-bromo-4-chlorophenoxy)acetic acid
English name: (2-Bromo-4-chloro-phenoxy)-acetic acid
Molecular formula: C8H6BrClO3
Molecular weight: 265.49

Names & synonyms

2-(2-bromo-4-chlorophenoxy)acetic acid77228-66-1DTXSID90352621RefChem:453383DTXCID20303686100-501-5(2-bromo-4-chlorophenoxy)acetic acidAcetic acid,2-(2-bromo-4-chlorophenoxy)-MFCD036137092-(2-bromo-4-chlorophenoxy)aceticacid2-(2-bromo-4-chloro-phenoxy)acetic AcidSCHEMBL1369311

Show more names

Acetic acid, 2-(2-bromo-4-chlorophenoxy)-

IQFPVGBBDOCAMI-UHFFFAOYSA-NCDA22866SBB079956STK051276AKOS000264635ST040223CS-0307746EN300-06211

Database identifiers

CAS: 77228-66-1
PubChem CID: 730302
DTXSID: DTXSID90352621
EC Number: 100-501-5

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

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

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