2-Chloro-4'-fluorobenzophenone
Basic information
- CAS
1806-23-1- Standard SMILES
O=C(c1ccc(F)cc1)c1ccccc1Cl- InChIKey
DODIKYQYCCFWRZ-UHFFFAOYSA-N- Molecular formula
- C13H8ClFO
- Average molar mass
- 234.65 g/mol
- Monoisotopic mass
- 234.0247707
Names & identifiers
- Preferred name
- 2-Chloro-4'-fluorobenzophenone
- IUPAC
- (2-chlorophenyl)-(4-fluorophenyl)methanone
- English name
- 2-Chloro-4'-fluorobenzophenone
- Molecular formula
- C13H8ClFO
- Molecular weight
- 234.65
Names & synonyms
2-Chloro-4'-fluorobenzophenone1806-23-1(2-Chlorophenyl)(4-fluorophenyl)methanoneMethanone, (2-chlorophenyl)(4-fluorophenyl)-(2-chlorophenyl)-(4-fluorophenyl)methanoneSN5N5MA34F2-Chloro-4-fluorobenzophenoneEINECS 217-300-4NSC 141026NSC-141026DTXSID2061983DODIKYQYCCFWRZ-UHFFFAOYSA-
Show more names
2,4'-CFBP2-Chloro-4'-fluorobeEnglitin Impurity B-9Engel net impurity 136Englil net Impurity 136Empagliflozin Impurity B-9Empagliflozin Impurity 1034'-FLUORO-2-CHLOROBENZOPHENONE
RefChem:86206DTXCID6035732217-300-4DODIKYQYCCFWRZ-UHFFFAOYSA-NInChI=1/C13H8ClFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8HMFCD00000559Empagliflozin Impurity 1432-Chloro-4/'-fluorobenzophenone
Database identifiers
- CAS
1806-23-1- PubChem CID
- 74547
- DTXSID
DTXSID2061983- UNII
- SN5N5MA34F
- EC Number
- 217-300-4
- Nikkaji
- J43.117F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 60 · 60-62°C
- Boiling point
- 337.3 · 337.3±22.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- CAS DataBase Reference
- 1806 · 1806-23-1(CAS DataBase Reference)
- FDA UNII
- 5 N5MA34F · SN5N5MA34F
- EPA Substance Registry System
- Methanone, (2-chlorophenyl)(4-fluorophenyl)- (1806-23-1)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 341 · H341
- Precautionary statements
- 201 · P201-P202-P280-P308+P313-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 21 · 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
Warning
H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesMuta. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2914790090
- risk_code
- 21
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 28
- Hazard statements
- H341
- Precautionary statements
- P201-P202-P280-P308+P313-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, (2-chlorophenyl)(4-fluorophenyl)-: INACTIVE
Applications
Uses2-Chloro-4'-fluorobenzophenone is an intermediate in the preparation of the bactericide fluoropyrimidine alcohol.
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
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