Basic information
- CAS
79097-84-0- Standard SMILES
CCC(C)(C)CC(=O)Cl- InChIKey
FAQFLNQHPAJHHC-UHFFFAOYSA-N- Molecular formula
- C7H13ClO
- Average molar mass
- 148.63 g/mol
- Monoisotopic mass
- 148.0654927
Names & identifiers
- Preferred name
- 3,3-Dimethylpentanoyl chloride
- IUPAC
- 3,3-dimethylpentanoyl chloride
- English name
- Pentanoyl chloride, 3,3-dimethyl-
- Molecular formula
- C7H13ClO
- Molecular weight
- 148.63
Names & synonyms
3,3-dimethylpentanoyl chloride79097-84-03,3-dimethylpentanoylchlorideSCHEMBL1409381FAQFLNQHPAJHHC-UHFFFAOYSA-NEDA09784EN300-306873Pentanoyl chloride, 3,3-dimethyl-
Database identifiers
- CAS
79097-84-0- PubChem CID
- 20535233
- EC Number
- 876-319-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 154.9 · 154.9±8.0 °C(Predicted)
- Density
- 0.973 · 0.973±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
广州理文科技有限公司18028686850 · [email protected]
湖南嘉航医药科技有限公司85567275 18932438858 · [email protected]
Related reactions
4 records
Compound notes
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