Basic information
- CAS
949-06-4- Standard SMILES
COc1ccc(C(=O)CCCCCl)cc1- InChIKey
YYSTYNWZWNOXOQ-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0760574
Names & identifiers
- Preferred name
- 5-Chloro-1-(4-methoxyphenyl)pentan-1-one
- IUPAC
- 5-chloro-1-(4-methoxyphenyl)pentan-1-one
- English name
- 5-CHLORO-1-(4-METHOXYPHENYL)-1-OXOPENTANE
- Molecular formula
- C12H15ClO2
- Molecular weight
- 226.7
Names & synonyms
949-06-45-CHLORO-1-(4-METHOXYPHENYL)PENTAN-1-ONEDTXSID80507608RefChem:302192DTXCID504584165-CHLORO-1-(4-METHOXYPHENYL)-1-OXOPENTANEMFCD005175021-Pentanone, 5-chloro-1-(4-methoxyphenyl)-5-Chloro-1-(4-methoxyphenyl)-1-pentanoneSCHEMBL37388025-chloro-4'-methoxyvalerophenoneYYSTYNWZWNOXOQ-UHFFFAOYSA-N
Show more names
AKOS016022557MS-20936SY4912905-chloro-1-(4-methyloxyphenyl)pentan-1-oneCS-0325654F72408F206945
Database identifiers
- CAS
949-06-4- PubChem CID
- 12709484
- DTXSID
DTXSID80507608
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 357.1 · 357.1±22.0 °C(Predicted)
- Density
- 1.101 · 1.101±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers6 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
6 records
Compound notes
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