Basic information
- CAS
339-62-8- Standard SMILES
CC(CCO)C(F)(F)F- InChIKey
JHKAMWUCXKBJBI-UHFFFAOYSA-N- Molecular formula
- C5H9F3O
- Average molar mass
- 142.12 g/mol
- Monoisotopic mass
- 142.06054939
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-3-methylbutan-1-ol
- IUPAC
- 4,4,4-trifluoro-3-methylbutan-1-ol
- English name
- 4,4,4-trifluoro-3-methyl-butan-1-ol
- Molecular formula
- C5H9F3O
- Molecular weight
- 142.12
Names & synonyms
4,4,4-trifluoro-3-methylbutan-1-ol339-62-8DTXSID60298042RefChem:284708DTXCID00249179819-537-44,4,4-trifluoro-3-methyl-butan-1-olNSC1203814,4,4-Trifluoro-3-methyl-1-butanol3-trifluoromethyl-1-butanolSCHEMBL265204SCHEMBL265205
Show more names
1-Butanol, 4,4,4-trifluoro-3-methyl-
3-(trifluoromethyl)-1-butanolSCHEMBL15135368BSJJQQUOGDRKTR-UHFFFAOYSA-NAKOS023777783AT22041NSC-120381DS-014604EN300-337055
Database identifiers
- CAS
339-62-8- PubChem CID
- 274355
- DTXSID
DTXSID60298042- EC Number
- 819-537-4
- Nikkaji
- J1.543.453H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 78.8
Experimental & physicochemical properties
LogP1.37
Physicochemical properties
- Boiling point
- 60 · 60-63 °C(Press: 28 Torr)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- 14.82 · 14.82±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H315-H319-H226-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
Related reactions
11 records
Compound notes
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