3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol
Basic information
- CAS
2927-17-5- Standard SMILES
CC(CO)(C(F)(F)F)C(F)(F)F- InChIKey
PDVIQMXPNJDUGQ-UHFFFAOYSA-N- Molecular formula
- C5H6F6O
- Average molar mass
- 196.09 g/mol
- Monoisotopic mass
- 196.03228378
Names & identifiers
- Preferred name
- 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol
- IUPAC
- 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol
- English name
- 2,2-Bis(trifluoromethyl)propanol
- Molecular formula
- C5H6F6O
- Molecular weight
- 196.09
Names & synonyms
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propan-1-olRefChem:485063670-905-92,2-Bis(trifluoromethyl)propanol2927-17-51-Propanol, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-MFCD002360802,2-Bis(trifluoromethyl)propan-1-olSCHEMBL507615SCHEMBL16506682,2-bis(trifloromethyl)propanolDTXSID80371189
Show more names
DAIKIN A-92112,2-Bis(trfluoromethyl)propanol2,2-Bis(trifluoromethyl)propanol97%2,2-Bis(trifluoromethyl)propanol 97%2,2-Bis(trifluoromethyl)propan-1-ol 97%2-Methyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol, 2,2-Bis(trifluoromethyl)-1-hydroxypropane
SBB091954AKOS006228804DB-047560CS-0256493ST51041430EN300-64920723,3,3-Trifluoro-2-methyl-2-trifluoromethyl-propan-1-ol
Database identifiers
- CAS
2927-17-5- PubChem CID
- 2736185
- DTXSID
DTXSID80371189- EC Number
- 670-905-9
- Nikkaji
- J1.640.368G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 35 °C · 35 °C
- Boiling point
- 90 °C · 90 °C
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- pka
- 12.86 · 12.86±0.10(Predicted)
- CAS DataBase Reference
- 2927 · 2927-17-5(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- Hazard Codes
- F
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1987 · 1987
- HazardClass
- FLAMMABLE
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
Danger
H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (50%)
Safety data
- ridadr
- 1987
- risk_code
- 10
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F
- safety_code
- 16
- hazard_class
- FLAMMABLE
- Hazard statements
- H225
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Related reactions
6 records
Compound notes
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