2-((Benzoyloxy)methyl)benzoyl chloride
Basic information
- CAS
58249-87-9- Standard SMILES
O=C(OCc1ccccc1C(=O)Cl)c1ccccc1- InChIKey
UDEQFYWNFHWPRH-UHFFFAOYSA-N- Molecular formula
- C15H11ClO3
- Average molar mass
- 274.7 g/mol
- Monoisotopic mass
- 274.0396719
Names & identifiers
- Preferred name
- 2-((Benzoyloxy)methyl)benzoyl chloride
- IUPAC
- (2-carbonochloridoylphenyl)methyl benzoate
- English name
- 2-(Benzoyloxymethyl)benzoyl chloride
- Molecular formula
- C15H11ClO3
- Molecular weight
- 274.7
Names & synonyms
58249-87-9EINECS 261-186-92-((Benzoyloxy)methyl)benzoyl chlorideDTXSID602069802-[(benzoyloxy)methyl]benzoyl chlorideRefChem:83737DTXCID90129471261-186-92-(Benzoyloxymethyl)benzoyl chloride(2-carbonochloridoylphenyl)methyl benzoate2-(chlorocarbonyl)benzyl benzoateSCHEMBL3293498
Show more names
2-(Benzoyloxymethyl)benzoic acid chlorideBenzoyl chloride, 2-[(benzoyloxy)methyl]-2-(HYDROXYMETHYL)BENZOYL CHLORIDE BENZOATE2-(BENZOYLOXYMETHYL)BENZOYL CHLORIDE, ST AB.
2-chlorocarbonyl-benzyl benzoateMFCD00042609[2-(Chlorocarbonyl)phenyl]methyl benzoateNS000338902-(Benzoyloxymethyl)benzoyl chloride, >=97.0% (AT)
Database identifiers
- CAS
58249-87-9- PubChem CID
- 94004
- DTXSID
DTXSID60206980- EC Number
- 261-186-9
- Nikkaji
- J296.913K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 59 · 59-61 °C
- Boiling point
- 407.9 · 407.9±28.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- BRN
- 2131346 · 2131346
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 3
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 10-21
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
5 records
Compound notes
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