2-(2,4-Dichlorophenoxy)butanoic acid
Basic information
- CAS
6956-86-1- Standard SMILES
CCC(Oc1ccc(Cl)cc1Cl)C(=O)O- InChIKey
BCOVXKWQTYUMNW-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O3
- Average molar mass
- 249.09 g/mol
- Monoisotopic mass
- 248.0006996
Names & identifiers
- Preferred name
- 2-(2,4-Dichlorophenoxy)butanoic acid
- IUPAC
- 2-(2,4-dichlorophenoxy)butanoic acid
- English name
- AKOS B013892
- Molecular formula
- C10H10Cl2O3
- Molecular weight
- 249.09
Names & synonyms
2-(2,4-Dichlorophenoxy)butanoic acid6956-86-1Butanoic acid, 2-(2,4-dichlorophenoxy)-Butyric acid, 2-(2,4-dichlorophenoxy)-NSC 65099RefChem:250115MFCD03422252NSC65099Butanoic acid,2-(2,4-dichlorophenoxy)-SCHEMBL541271AKOS B013892DTXSID201035006
Show more names
ART-CHEM-BB B0138922-(2,4-dichlorophenoxy)butyric acid
ALBB-0008712-(2,4-Dichlorophenoxy)butanoicacidBBL036336NSC-65099STK500387AKOS000308710VS-13426CS-0319555
Database identifiers
- CAS
6956-86-1- PubChem CID
- 97982
- DTXSID
DTXSID201035006- EC Number
- 876-155-0
- Nikkaji
- J449.813E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 80 °C · 80 °C
- Boiling point
- 145 · 145-150 °C(Press: 0.2 Torr)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- 3.03 · 3.03±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…