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2-(Trifluoromethyl)-1,1,1,3,3,3-hexafluoropropane

HCID 136226
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
382-24-1
Standard SMILES
FC(F)(F)C(C(F)(F)F)C(F)(F)F
InChIKey
IMRLDNHHTCXOOR-UHFFFAOYSA-N
Molecular formula
C4HF9
Average molar mass
220.04 g/mol
Monoisotopic mass
219.99345349

Names & identifiers

Preferred name
2-(Trifluoromethyl)-1,1,1,3,3,3-hexafluoropropane
IUPAC
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
English name
1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propane
Molecular formula
C4HF9
Molecular weight
220.04

Names & synonyms

382-24-12-(Trifluoromethyl)-1,1,1,3,3,3-hexafluoropropaneDTXSID40191582RefChem:1062073DTXCID801140731,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propaneIsobutane, perfluoro-Tris(trifluoromethyl)methanePropane, 1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-SCHEMBL67649SCHEMBL134970(CF3)3CH
Show more names
2-trifluoromethyl-1,1,1,3,3,3-hexafluoropropane1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propane97%1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propane 97%1,1,1,3,3,3-HEXAFLUORO-2-(TRIFLUOROMETHYL)PROPANE ISO 9001:2015 REACH
SCHEMBL4490334SBB0958731,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propane #Propane, 2-(Trifluoromethyl)-1,1,1,3,3,3-hexafluoro-

Database identifiers

CAS
382-24-1
PubChem CID
136226
DTXSID
DTXSID40191582
Nikkaji
J611.846A

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
0
Heavy atoms
13
Formal charge
0
Complexity
134

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Boiling point
12 · 12-14°C
pka
11 · 11(at 25℃)
Hazard Codes
T
Risk Statements
23 · 23/24/25
Safety Statements
36 · 36/37/39-45
Hazard Note
Toxic
HS Code
2903491000 · 2903491000

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2903491000
risk_code
23/24/25
hazard_code
T
hazard_note
Toxic
safety_code
36/37/39-45

Chemistry & industry

Upstream & downstream products

Downstream products

4,4,4-Tris(trifluoromethyl)butanenitrile

Suppliers2 total

Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]

Related reactions

1 records
New reaction record
HRID 1164151 reaction equation
HRID 1164151As reactantuspto-grants-1983_01

Compound notes

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