2-(Phenoxymethyl)benzoyl chloride
Basic information
- CAS
21733-94-8- Standard SMILES
O=C(Cl)c1ccccc1COc1ccccc1- InChIKey
JEVCFPPYJUBGIO-UHFFFAOYSA-N- Molecular formula
- C14H11ClO2
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0447573
Names & identifiers
- Preferred name
- 2-(Phenoxymethyl)benzoyl chloride
- IUPAC
- 2-(phenoxymethyl)benzoyl chloride
- English name
- 2-(PHENOXYMETHYL)BENZOYL CHLORIDE 97
- Molecular formula
- C14H11ClO2
- Molecular weight
- 246.69
Names & synonyms
2-(Phenoxymethyl)benzoyl chloride21733-94-8DTXSID90576749RefChem:254527DTXCID005275202-(PHENOXYMETHYL)BENZOYL CHLORIDE 97Benzoyl chloride,2-(phenoxymethyl)-SCHEMBL8076831o-(Phenoxymethyl)-benzoylchlorideDB-066615Benzoyl chloride, 2-(phenoxymethyl)-2-(Phenoxymethyl)benzoyl chloride 97%
Database identifiers
- CAS
21733-94-8- PubChem CID
- 15679042
- DTXSID
DTXSID90576749
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 49 °C · 49 °C
- Boiling point
- 375 · 375.0±25.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- Sensitive
- Moisture Sensitive
- Hazard Codes
- C
- Hazard Note
- Corrosive/Moisture Sensitive
- HS Code
- 2916399090 · 2916399090
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
- hs_code
- 2916399090
- hazard_code
- C
- hazard_note
- Corrosive/Moisture Sensitive
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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