1-(4-Fluorophenyl)cyclopentanecarbonitrile
Basic information
- CAS
83706-50-7- Standard SMILES
N#CC1(c2ccc(F)cc2)CCCC1- InChIKey
MAGOCEYAQAZRNE-UHFFFAOYSA-N- Molecular formula
- C12H12FN
- Average molar mass
- 189.23 g/mol
- Monoisotopic mass
- 189.09537755
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)cyclopentanecarbonitrile
- IUPAC
- 1-(4-fluorophenyl)cyclopentane-1-carbonitrile
- English name
- 1-(4-Fluorophenyl)cyclopentanecarbonitrile
- Molecular formula
- C12H12FN
- Molecular weight
- 189.23
Names & synonyms
1-(4-Fluorophenyl)cyclopentanecarbonitrile83706-50-7EINECS 280-526-7DTXSID90232570RefChem:74493DTXCID20155061280-526-71-(4-fluorophenyl)cyclopentane-1-carbonitrileSCHEMBL1019298MAGOCEYAQAZRNE-UHFFFAOYSA-NMFCD00800616SBB017019
Show more names
LABOTEST-BB LT00441194Cyclopentanecarbonitrile, 1-(4-fluorophenyl)-1-(4-Fluorophenyl)cyclopentanecarbonitrile,99%1-(4-Fluorophenyl)cyclopentanecarbonitrile, 99% 5GR
AKOS009157344DB-056736NS00058342ST50405119
Database identifiers
- CAS
83706-50-7- PubChem CID
- 2733239
- DTXSID
DTXSID90232570- EC Number
- 280-526-7
- Nikkaji
- J326.840C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 303.5 · 303.5±35.0 °C(Predicted)
- Density
- 1.0913 · 1.0913 (estimate)
- refractive index
- 1.514 · 1.514-1.516
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear slightly yellow
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 36 · 36/37/39-26
- RIDADR
- 3276 · 3276
- HS Code
- 29269095 · 29269095
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
- ridadr
- 3276
- hs_code
- 29269095
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xn
- safety_code
- 36/37/39-26
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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