1-Chloro-4-(fluoromethyl)benzene
Basic information
- CAS
352-12-5- Standard SMILES
FCc1ccc(Cl)cc1- InChIKey
XAWFFDQTYJUPQT-UHFFFAOYSA-N- Molecular formula
- C7H6ClF
- Average molar mass
- 144.57 g/mol
- Monoisotopic mass
- 144.014206
Names & identifiers
- Preferred name
- 1-Chloro-4-(fluoromethyl)benzene
- IUPAC
- 1-chloro-4-(fluoromethyl)benzene
- English name
- Benzene, 1-chloro-4-(fluoromethyl)-
- Molecular formula
- C7H6ClF
- Molecular weight
- 144.57
Names & synonyms
1-chloro-4-(fluoromethyl)benzene352-12-5benzene, 1-chloro-4-(fluoromethyl)-TOLUENE,4-CHLORO,ALPHA-FLUORODTXSID30348447RefChem:75412DTXCID60299519InChI=1/C7H6ClF/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H4-chlorobenzyl fluorideSCHEMBL596925SCHEMBL597388SCHEMBL2322293
Show more names
AKOS022183444
Database identifiers
- CAS
352-12-5- PubChem CID
- 637529
- DTXSID
DTXSID30348447- Nikkaji
- J1.521.592E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 77
Physicochemical properties
- Melting point
- 3 · 3-4 °C
- Boiling point
- 72 · 72-73 °C(Press: 16 Torr)
- Density
- 1.2127 g/cm3 · 1.2127 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…