Basic information
- CAS
62609-88-5- Standard SMILES
CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)Cl)c1- InChIKey
ZTVBCGCJXWTUIA-UHFFFAOYSA-N- Molecular formula
- C25H41ClO2
- Average molar mass
- 409 g/mol
- Monoisotopic mass
- 408.2795082
Names & identifiers
- Preferred name
- Butanoyl chloride, 2-(3-pentadecylphenoxy)-
- IUPAC
- 2-(3-pentadecylphenoxy)butanoyl chloride
- English name
- 2-(3-pentadecylphenoxy)butyryl chloride
- Molecular formula
- C25H41ClO2
- Molecular weight
- 409.04
Names & synonyms
62609-88-5Butanoyl chloride, 2-(3-pentadecylphenoxy)-EINECS 263-635-4DTXSID50886492RefChem:571579DTXCID5010258162-(3-Pentadecylphenoxy)butyryl chloride2-(3-pentadecylphenoxy)butanoyl chlorideSCHEMBL4808774DB-216392NS00056117
Database identifiers
- CAS
62609-88-5- PubChem CID
- 112508
- DTXSID
DTXSID50886492- EC Number
- 263-635-4
- Nikkaji
- J32.722K
Properties
Computed structural properties
- XLogP
- 11.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- EPA Substance Registry System
- 2 · Butanoyl chloride, 2-(3-pentadecylphenoxy)- (62609-88-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoyl chloride, 2-(3-pentadecylphenoxy)-: INACTIVE
Related reactions
2 records
Compound notes
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