Basic information
- CAS
179064-61-0- Standard SMILES
N#CC1(c2ccccc2F)CCC(=O)CC1- InChIKey
SLIRWSUQYAHPHU-UHFFFAOYSA-N- Molecular formula
- C13H12FNO
- Average molar mass
- 217.24 g/mol
- Monoisotopic mass
- 217.09029217
Names & identifiers
- Preferred name
- 1-(2-Fluorophenyl)-4-oxocyclohexane-1-carbonitrile
- IUPAC
- 1-(2-fluorophenyl)-4-oxocyclohexane-1-carbonitrile
- English name
- 4-CYANO-4-(2-FLUOROPHENYL)CYCLOHEXANONE
- Molecular formula
- C13H12FNO
- Molecular weight
- 217.24
Names & synonyms
179064-61-01-(2-fluorophenyl)-4-oxocyclohexane-1-carbonitrileDTXSID70618631RefChem:223475DTXCID60569385800-281-71-(2-Fluorophenyl)-4-oxocyclohexanecarbonitrileCyclohexanecarbonitrile, 1-(2-fluorophenyl)-4-oxo-MFCD118497744-cyano-4-(2-fluorophenyl)cyclohexanone4-Cyano-4-(2-fluorophenyl)cyclohexan-1-oneLevocabastine Impurity 9
Show more names
LevocabastineImpurity94-Cyano-4-(2- fluorophenyl)cyclohexan-1-one
SCHEMBL1557008SLIRWSUQYAHPHU-UHFFFAOYSA-NAKOS016028544SS-3605DB-3164771-(2-fluorophenyl)-4-oxo-cyclohexanecarbonitrileF792813
Database identifiers
- CAS
179064-61-0- PubChem CID
- 21834552
- DTXSID
DTXSID70618631- EC Number
- 800-281-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 380.4 · 380.4±42.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers13 total
济南百隆化学有限公司[email protected] · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
郑州爱希医药科技有限公司0371-56787280 13137706083
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
3 records
Compound notes
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