Benzoyl chloride, 4-[(2S)-2-methylbutyl]-
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Basic information
- CAS
62796-32-1- Standard SMILES
CC[C@H](C)Cc1ccc(C(=O)Cl)cc1- InChIKey
JTFWIFQALWOEGT-VIFPVBQESA-N- Molecular formula
- C12H15ClO
- Average molar mass
- 210.7 g/mol
- Monoisotopic mass
- 210.0811428
Names & identifiers
- Preferred name
- Benzoyl chloride, 4-[(2S)-2-methylbutyl]-
- IUPAC
- 4-[(2S)-2-methylbutyl]benzoyl chloride
- English name
- (+)-p-(2-Methylbutyl)benzoyl chloride, 98%
- Molecular formula
- C12H15ClO
- Molecular weight
- 210.7
Names & synonyms
Benzoyl chloride, 4-[(2S)-2-methylbutyl]-Benzoyl chloride, 4-((2S)-2-methylbutyl)-DTXSID90886512RefChem:566460DTXCID70102583662796-32-14-[(2S)-2-methylbutyl]benzoyl chlorideSCHEMBL11031966JTFWIFQALWOEGT-VIFPVBQESA-N4-(2-METHYLBUTYL)BENZOYL CHLORIDE4-[(S)-2-Methylbutyl]benzoic acid chloride
Database identifiers
- CAS
62796-32-1- PubChem CID
- 112963
- DTXSID
DTXSID90886512- Nikkaji
- J429.495E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 282.5 · 282.5±19.0 °C(Predicted)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 4 · Benzoyl chloride, 4-[(2S)-2-methylbutyl]- (62796-32-1)
- RIDADR
- 3265 · 3265
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
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
- ridadr
- 3265
- hazard_class
- 8
- packing_group
- III
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoyl chloride, 4-[(2S)-2-methylbutyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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