Heptyl 2,4-dichlorophenoxyacetate
Basic information
- CAS
1917-96-0- Standard SMILES
CCCCCCCOC(=O)COc1ccc(Cl)cc1Cl- InChIKey
HZQJGWTYZAWPLJ-UHFFFAOYSA-N- Molecular formula
- C15H20Cl2O3
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0789499
Names & identifiers
- Preferred name
- Heptyl 2,4-dichlorophenoxyacetate
- IUPAC
- heptyl 2-(2,4-dichlorophenoxy)acetate
- English name
- heptyl 2,4-dichlorophenoxyacetate
- Molecular formula
- C15H20Cl2O3
- Molecular weight
- 319.22
Names & synonyms
Heptyl 2,4-dichlorophenoxyacetate1917-96-0heptyl 2-(2,4-dichlorophenoxy)acetateEINECS 217-634-0SCHEMBL21381345DTXSID40940815HZQJGWTYZAWPLJ-UHFFFAOYSA-Nheptyl 2,4-dichloro-phenoxyacetateheptyl-2,4-dichloro-phenoxyacetateheptyl (2,4-dichlorophenoxy)acetateNSC190573NSC 190573
Show more names
(2,4-Dichlorophenoxy)acetic acid heptyl esterAcetic acid, 2-(2,4-dichlorophenoxy)-, heptyl ester
NSC-190573NS00046198
Database identifiers
- CAS
1917-96-0- PubChem CID
- 74712
- DTXSID
DTXSID40940815- EC Number
- 217-634-0
- Nikkaji
- J199.732G
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 434.72 °C · 434.72°C (rough estimate)
- Density
- 1.1743 · 1.1743 (rough estimate)
- refractive index
- 1.581 · 1.5810 (estimate)
Chemistry & industry
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