3-(2,4-Dichlorophenoxy)propanoic acid
Basic information
- CAS
3284-80-8- Standard SMILES
O=C(O)CCOc1ccc(Cl)cc1Cl- InChIKey
XHUAIKXCACQSGV-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O3
- Average molar mass
- 235.06 g/mol
- Monoisotopic mass
- 233.9850495
Names & identifiers
- Preferred name
- 3-(2,4-Dichlorophenoxy)propanoic acid
- IUPAC
- 3-(2,4-dichlorophenoxy)propanoic acid
- English name
- Propanoic acid, 3-(2,4-dichlorophenoxy)-
- Molecular formula
- C9H8Cl2O3
- Molecular weight
- 235.06
Names & synonyms
3-(2,4-Dichlorophenoxy)propanoic acid3284-80-8Propanoic acid, 3-(2,4-dichlorophenoxy)-SCHEMBL1496045DTXSID20954490XHUAIKXCACQSGV-UHFFFAOYSA-NDAA284803-(2,4-Dichlorophenoxy)propanoicacidAKOS0001271563-(2,4-Dichlorophenoxy)propionic acidST45239816EN300-43983
Show more names
G21067AB00998900-01AS-871/43307277Z224636418
Database identifiers
- CAS
3284-80-8- PubChem CID
- 119048
- DTXSID
DTXSID20954490- EC Number
- 113-379-3
- Nikkaji
- J437.637D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 93 °C · 93 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
- Boiling point
- 338.4 · 338.4±27.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 4.11 · 4.11±0.10(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
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Related reactions
6 records
Compound notes
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