Basic information
- CAS
115012-47-0- Standard SMILES
O=C1CCN(c2ccccc2Cl)CC1- InChIKey
HHTPHQOFZKEEHP-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO
- Average molar mass
- 209.67 g/mol
- Monoisotopic mass
- 209.0607417
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)piperidin-4-one
- IUPAC
- 1-(2-chlorophenyl)piperidin-4-one
- English name
- 1-(2-chlorophenyl)piperidin-4-one
- Molecular formula
- C11H12ClNO
- Molecular weight
- 209.67
Names & synonyms
1-(2-Chlorophenyl)piperidin-4-one115012-47-04-Piperidinone, 1-(2-chlorophenyl)-MFCD068044991-(2-chlorophenyl)-4-piperidinoneDTXSID306296671-(2-Chlorophenyl)-4-piperidoneAKOS000183163AB10191BS-35630DA-18879CS-0335243
Show more names
UKRORGSYN-BB BBV-0760851-(2-chlorophenyl)piperidin-4-one(SALTDATA: FREE)
F732291
Database identifiers
- CAS
115012-47-0- PubChem CID
- 23005461
- DTXSID
DTXSID30629667- Nikkaji
- J2.636.790E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 342 · 342.0±37.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
郑州药领医药科技有限公司13526569071 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
肇庆市万维新材料科技有限公司0755-1328880-4488 13049823633;13068786899;13288804488 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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