Basic information
- CAS
54540-58-8- Standard SMILES
Fc1ccc(CCCCCl)cc1- InChIKey
QMDPGDCZIVOKNA-UHFFFAOYSA-N- Molecular formula
- C10H12ClF
- Average molar mass
- 186.65 g/mol
- Monoisotopic mass
- 186.06115628
Names & identifiers
- Preferred name
- 1-(4-Chlorobutyl)-4-fluorobenzene
- IUPAC
- 1-(4-chlorobutyl)-4-fluorobenzene
- English name
- 1-(4-chlorobutyl)-4-fluorobenzene
- Molecular formula
- C10H12ClF
- Molecular weight
- 186.65
Names & synonyms
1-(4-Chlorobutyl)-4-fluorobenzene54540-58-8EINECS 259-206-6NV8D383GB8Benzene, 1-(4-chlorobutyl)-4-fluoro-DTXSID00202966RefChem:74445DTXCID30125457259-206-6C10H12ClFMFCD119351011-(4-Chlorobutyl)-4-Fluoro-Benzene
Show more names
UNII-NV8D383GB8SCHEMBL62241871-(4-chloro-butyl)-4-fluoro-benzeneAKOS013837735DS-18222DB-002377CS-0042392NS00056747
Database identifiers
- CAS
54540-58-8- PubChem CID
- 3016889
- DTXSID
DTXSID00202966- UNII
- NV8D383GB8
- EC Number
- 259-206-6
- Nikkaji
- J266.908K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 253.5 · 253.5±23.0 °C(Predicted)
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 8 D383GB8 · NV8D383GB8
Chemistry & industry
Suppliers20 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
3 records
Compound notes
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