Basic information
- CAS
214847-64-0- Standard SMILES
CC(C)Oc1cccc(C(=O)Cl)c1- InChIKey
WPIMBZGVPVKFDT-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.04475727
Names & identifiers
- Preferred name
- 3-Isopropoxybenzoyl chloride
- IUPAC
- 3-propan-2-yloxybenzoyl chloride
- English name
- Benzoyl chloride, 3-(1-methylethoxy)- (9CI)
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
3-isopropoxybenzoyl chloride214847-64-03-(propan-2-yloxy)benzoyl chloride3-propan-2-yloxybenzoyl chlorideMFCD02628386Benzoyl chloride, 3-(1-methylethoxy)-3-Isopropoxy-benzoyl chloride3-iso-Propoxybenzoyl chlorideSCHEMBL1167621DTXSID20406368WPIMBZGVPVKFDT-UHFFFAOYSA-NALBB-011182
Show more names
BBL012039STK347409AKOS0002892853-[(Propan-2-yl)oxy]benzoyl chlorideFI120989VS-03174Benzoyl chloride, 3-(1-methylethoxy)- (9CI)H26213
Database identifiers
- CAS
214847-64-0- PubChem CID
- 4769462
- DTXSID
DTXSID20406368
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
4 records
Compound notes
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