2-(2,4-Difluorophenoxy)acetic acid
Basic information
- CAS
399-44-0- Standard SMILES
O=C(O)COc1ccc(F)cc1F- InChIKey
XNQGDQMMYURPJK-UHFFFAOYSA-N- Molecular formula
- C8H6F2O3
- Average molar mass
- 188.13 g/mol
- Monoisotopic mass
- 188.02850037
Names & identifiers
- Preferred name
- 2-(2,4-Difluorophenoxy)acetic acid
- IUPAC
- 2-(2,4-difluorophenoxy)acetic acid
- English name
- (2,4-Difluorophenoxy)acetic acid
- Molecular formula
- C8H6F2O3
- Molecular weight
- 188.13
Names & synonyms
399-44-02-(2,4-difluorophenoxy)acetic acidRefChem:451969822-460-9(2,4-difluorophenoxy)acetic acidMFCD03422203(2,4-Difluoro-phenoxy)-acetic acid2,4-difluorophenoxyacetic acidacetic acid, 2-(2,4-difluorophenoxy)-NSC10231SCHEMBL2949180DTXSID20278825
Show more names
(2,4-Difluorophenoxy)acetic acid - [D88730](2,4-difluorophenoxy)acetic acid(SALTDATA: FREE)
ALBB-000796BBL013387NSC-10231SBB009309STK3179072-(2,4-difluorophenoxy)ethanoic acidAKOS000103129AS-61871
Database identifiers
- CAS
399-44-0- PubChem CID
- 223072
- DTXSID
DTXSID20278825- EC Number
- 822-460-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 121 · 121-125°C
- Boiling point
- 298 · 298.0±25.0 °C(Predicted)
- Density
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.06 · 3.06±0.10(Predicted)
- color
- Pale Brown
- Comptox DTXSID
- 20278825 · DTXSID20278825
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2918990090 · 2918990090
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
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)
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 (100%)
Safety data
- hs_code
- 2918990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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