Basic information
- CAS
175136-88-6- Standard SMILES
O=C1CC(=O)CC(c2c(F)cccc2Cl)C1- InChIKey
RDLKECGYLPSQFO-UHFFFAOYSA-N- Molecular formula
- C12H10ClFO2
- Average molar mass
- 240.66 g/mol
- Monoisotopic mass
- 240.0353354
Names & identifiers
- Preferred name
- 5-(2-Chloro-6-fluorophenyl)-1,3-cyclohexanedione
- IUPAC
- 5-(2-chloro-6-fluorophenyl)cyclohexane-1,3-dione
- English name
- 5-(2-Chloro-6-fluorophenyl)cyclohexane-1,3-dione
- Molecular formula
- C12H10ClFO2
- Molecular weight
- 240.66
Names & synonyms
5-(2-CHLORO-6-FLUOROPHENYL)-1,3-CYCLOHEXANEDIONERefChem:5293385-(2-chloro-6-fluorophenyl)cyclohexane-1,3-dione175136-88-6MFCD00111710Bionet2_000172HMS1364H18DTXSID00371449CS-D0085SBB054181AKOS015996638AS-5280
Show more names
5-(3-chloro-5-fluorophenyl)cyclohexane-1,3-dione5-(2-Chloro-6-fluorophenyl)cyclohexane-1,3-dione, tech5-(2-Chloro-6-fluoro-phenyl)-3-hydroxy-cyclohex-2-enone
DB-0440425-(2-chloro-6-fluoro-phenyl)cyclohexane-1,3-dione1,3-Cyclohexanedione, 5-(2-chloro-6-fluorophenyl)-
Database identifiers
- CAS
175136-88-6- PubChem CID
- 2736571
- DTXSID
DTXSID00371449
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 193 · 193-196°C
- Boiling point
- 342.3 · 342.3±42.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- pka
- 4.57 · 4.57±0.20(Predicted)
- CAS DataBase Reference
- 175136 · 175136-88-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H227
- Precautionary statements
- 210 · P210-P264-P270-P280-P301+P312-P330-P370+P378-P403+P235-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2914290090 · 2914290090
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
- 2914290090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H227
- Precautionary statements
- P210-P264-P270-P280-P301+P312-P330-P370+P378-P403+P235-P501
Chemistry & industry
Suppliers9 total
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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