2-(2-Bromo-4-fluorophenoxy)acetic acid
Basic information
- CAS
399-40-6- Standard SMILES
O=C(O)COc1ccc(F)cc1Br- InChIKey
WWVZWZDNCWFYIM-UHFFFAOYSA-N- Molecular formula
- C8H6BrFO3
- Average molar mass
- 249.03 g/mol
- Monoisotopic mass
- 247.94843437
Names & identifiers
- Preferred name
- 2-(2-Bromo-4-fluorophenoxy)acetic acid
- IUPAC
- 2-(2-bromo-4-fluorophenoxy)acetic acid
- English name
- (2-Bromo-4-fluoro-phenoxy)-acetic acid
- Molecular formula
- C8H6BrFO3
- Molecular weight
- 0
Names & synonyms
2-(2-bromo-4-fluorophenoxy)acetic acidRefChem:453389964-186-3399-40-6(2-Bromo-4-fluoro-phenoxy)-acetic acidMLS000773315SMR0003640102-(2-bromo-4-fluoro-phenoxy)acetic acidNSC190612(2-bromo-4-fluorophenoxy)acetic acidcid_302873SCHEMBL2112042
Show more names
CHEMBL1588958BDBM75109DTXSID30307276WWVZWZDNCWFYIM-UHFFFAOYSA-NHMS2765O03MFCD03989573AKOS0002645472-(2-bromo-4-fluorophenoxy)aceticacid
Database identifiers
- CAS
399-40-6- PubChem CID
- 302873
- DTXSID
DTXSID30307276- ChEMBL
CHEMBL1588958- EC Number
- 964-186-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- storage temp.
- Store at room temperature, keep dry and cool
- Appearance
- White to off-white Solid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
11 records
Compound notes
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