Basic information
- CAS
94099-53-3- Standard SMILES
OC1CCCC(F)(F)C1- InChIKey
QNFOXOAGRZJDAQ-UHFFFAOYSA-N- Molecular formula
- C6H10F2O
- Average molar mass
- 136.14 g/mol
- Monoisotopic mass
- 136.06997126
Names & identifiers
- Preferred name
- 3,3-Difluorocyclohexan-1-ol
- IUPAC
- 3,3-difluorocyclohexan-1-ol
- English name
- 3,3-difluorocyclohexanol
- Molecular formula
- C6H10F2O
- Molecular weight
- 136.14
Names & synonyms
3,3-difluorocyclohexan-1-olRefChem:485358832-394-23,3-Difluorocyclohexanol94099-53-3Cyclohexanol, 3,3-difluoro-MFCD14705083(1S)-3,3-difluorocyclohexanol3,3-Difluorocyclohexanol #1,1-Difluorocyclohexan-3-olSCHEMBL127500SCHEMBL127501
Show more names
SCHEMBL3647608SCHEMBL17556496SCHEMBL26699716DTXSID40340412IRSLUHYGIAAROG-UHFFFAOYSA-NSY470553CS-0058216P19500
Database identifiers
- CAS
94099-53-3- PubChem CID
- 564483
- DTXSID
DTXSID40340412- EC Number
- 832-394-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 160.6 · 160.6±40.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 13.92 · 13.92±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280
Chemistry & industry
Suppliers12 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
宁波苯康基石医药科技有限公司15990591583
武汉翱飞科技有限公司15841022315 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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