2,2-dichlorohexanoic Acid
Basic information
- CAS
18240-70-5- Standard SMILES
CCCCC(Cl)(Cl)C(=O)O- InChIKey
CNWRQGGFKSSJSS-UHFFFAOYSA-N- Molecular formula
- C6H10Cl2O2
- Average molar mass
- 185.05 g/mol
- Monoisotopic mass
- 184.0057849
Names & identifiers
- Preferred name
- 2,2-dichlorohexanoic Acid
- IUPAC
- 2,2-dichlorohexanoic acid
- English name
- 2,2-Dichlorohexanoic acid
- Molecular formula
- C7H12Cl2O2
- Molecular weight
- 199.07
Names & synonyms
2,2-dichlorohexanoic Acid18240-70-5DTXSID10369175RefChem:243221DTXCID60320211starbld0002977SCHEMBL1158403SBB003717AKOS006230483CH3(CH2)4C(Cl)2COOH2,2-Dichlorocaproic acid2,2-Dichlorohexanoic acid,93%
Show more names
2,2-DICHLOROHEXANOIC ACID 93%
Database identifiers
- CAS
18240-70-5- PubChem CID
- 2724596
- DTXSID
DTXSID10369175- Nikkaji
- J126.798A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 66 · 66-67 °C
- Density
- 1.2968 · 1.2968 (rough estimate)
- refractive index
- 1.4615 · 1.4615-1.4635
- CAS DataBase Reference
- 18240 · 18240-70-5
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 45 · 45-36/37/39-26
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
- risk_code
- 34
- hazard_code
- C
- safety_code
- 45-36/37/39-26
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Related reactions
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Compound notes
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