Basic information
- CAS
106795-72-6- Standard SMILES
N#CC1(c2ccccc2F)CCCCC1- InChIKey
NLLWMLADVNXWKT-UHFFFAOYSA-N- Molecular formula
- C13H14FN
- Average molar mass
- 203.25 g/mol
- Monoisotopic mass
- 203.11102761
Names & identifiers
- Preferred name
- 1-(2-Fluorophenyl)cyclohexanecarbonitrile
- IUPAC
- 1-(2-fluorophenyl)cyclohexane-1-carbonitrile
- English name
- 1-(2-Fluorophenyl)cyclohexanecarbonitrile
- Molecular formula
- C13H14FN
- Molecular weight
- 203.26
Names & synonyms
106795-72-61-(2-FLUOROPHENYL)CYCLOHEXANECARBONITRILEDTXSID60352931RefChem:223480DTXCID303039951-(2-fluorophenyl)cyclohexane-1-carbonitrileCyclohexanecarbonitrile,1-(2-fluorophenyl)-1-(2-fluorophenyl)-1-cyclohexanecarbonitrileSCHEMBL1018309SBB016905AKOS009159419DB-040711
Show more names
CYCLOHEXANECARBONITRILE, 1-(2-FLUOROPHENYL)-1-(2-Fluorophenyl)cyclohexanecarbonitrile,95%1-(2-FLUOROPHENYL)CYCLOHEXANECARBONITRILE 95%
ST50306882
Database identifiers
- CAS
106795-72-6- PubChem CID
- 736124
- DTXSID
DTXSID60352931- EC Number
- 691-773-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 130 · 130-135 °C(Press: 2.3 Torr)
- Density
- 1.0708 · 1.0708 (estimate)
- refractive index
- 1.5195 · 1.5195-1.522
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319-H312
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 36 · 36/37/39-26
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- Hazard statements
- H315-H335-H302-H319-H312
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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