Basic information
- CAS
50606-97-8- Standard SMILES
CCCCCCCCc1ccc(C(=O)Cl)cc1- InChIKey
NEKGDYGTJYCIRI-UHFFFAOYSA-N- Molecular formula
- C15H21ClO
- Average molar mass
- 252.78 g/mol
- Monoisotopic mass
- 252.12809297
Names & identifiers
- Preferred name
- Benzoyl chloride, 4-octyl-
- IUPAC
- 4-octylbenzoyl chloride
- English name
- 4-OCTYLBENZOYL CHLORIDE
- Molecular formula
- C15H21ClO
- Molecular weight
- 252.78
Names & synonyms
4-Octylbenzoyl chlorideBenzoyl chloride, 4-octyl-EINECS 256-649-7DTXSID1068560RefChem:118777DTXCID6040872256-649-750606-97-8MFCD000417254-N-Octylbenzoyl chlorideACB4UMK7V34-(n-octyl)benzoyl chloride
Show more names
4-octyl-benzoylchloridP-OCTYLBENZOYL CHLORIDE4-Octylbenzoyl chloride,99%4-Octylbenzoic acid chloride4-OCTYLBENZOYL CHLORIDE ISO 9001：2015 REACH
p-n-Octylbenzoic acid chlorideSCHEMBL10213524-octyl-1-benzenecarbonyl chlorideAKOS004908262NS00032094
Database identifiers
- CAS
50606-97-8- PubChem CID
- 170865
- DTXSID
DTXSID1068560- UNII
- ACB4UMK7V3
- EC Number
- 256-649-7
- Nikkaji
- J261.553C
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 193 °C · 193 °C (10 mmHg)
- Density
- 1.0159 · 1.0159 (rough estimate)
- refractive index
- 1.5175 · 1.5175-1.5195
- CAS DataBase Reference
- 50606 · 50606-97-8
- EPA Substance Registry System
- 4 · Benzoyl chloride, 4-octyl- (50606-97-8)
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-29-36
- Safety Statements
- 45 · 45-36/37/39-26
- TSCA
- TSCA listed
- HS Code
- 29163900 · 29163900
Safety & regulation
Safety data
- tsca
- TSCA listed
- hs_code
- 29163900
- risk_code
- 34-29-36
- hazard_code
- C,Xi
- safety_code
- 45-36/37/39-26
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoyl chloride, 4-octyl-: INACTIVE
Suppliers5 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
10 records
Compound notes
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