3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
Basic information
- CAS
45048-36-0- Standard SMILES
CC(C(=O)O)(C(F)(F)F)C(F)(F)F- InChIKey
OIUKKVROQZMVDV-UHFFFAOYSA-N- Molecular formula
- C5H4F6O2
- Average molar mass
- 210.07 g/mol
- Monoisotopic mass
- 210.01154834
Names & identifiers
- Preferred name
- 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
- IUPAC
- 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
- English name
- 2,2-BIS(TRIFLUOROMETHYL)PROPIONIC ACID
- Molecular formula
- C5H4F6O2
- Molecular weight
- 210.07
Names & synonyms
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic AcidRefChem:485064692-033-82,2-Bis(trifluoromethyl)propionic acid45048-36-02,2-Bis(trifluoromethyl)propanoic acidhexafluoropivalic acidMFCD00236083SCHEMBL105343DTXSID90371190Propanoic acid, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-SBB094287
Show more names
2,2-Bis(trfluoromethyl)propanoic Acid2,2-Bis(trifluoromethyl)propanoic acid 97%2,2-Bis(trifluoromethyl)propionic acid, 2-Methyl-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
AKOS007929969DB-019605EN300-64791433,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoicAcidPropanoic acid, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-?
Database identifiers
- CAS
45048-36-0- PubChem CID
- 2736186
- DTXSID
DTXSID90371190- EC Number
- 692-033-8
- Nikkaji
- J1.127.476E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 107 · 107-109°
- Density
- 1 · 1,479 g/cm3
- refractive index
- 1.314 · 1.314
- form
- powder
- color
- Off-white
- CAS DataBase Reference
- 45048 · 45048-36-0(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3265 · 3265
- Hazard Note
- Corrosive
- HazardClass
- 8 · 8
- HS Code
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 3265
- hs_code
- 2933399990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- hazard_class
- 8
- Hazard statements
- H314
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Suppliers
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Related reactions
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Compound notes
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