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180918-40-5

180918-40-5 Structure

180918-40-5 Structure
IdentificationBack Directory
[Name]

3,3,3-TRIFLUORO-2,2-DIMETHYLPROPIONIC ACID
[CAS]

180918-40-5
[Synonyms]

Cyclohexanecarboxylic acid, 1-(trifluoromethyl)-
1-(Trifluoromethyl)cyclohexane-1-carboxylic acid 97%
1-(Trifluoromethyl)cyclohexane-1-carboxylic acid, 97+%
[Molecular Formula]

C8H11F3O2
[MDL Number]

MFCD08445820
[MOL File]

180918-40-5.mol
[Molecular Weight]

196.17
Chemical PropertiesBack Directory
[Melting point ]

68-71°C
[Boiling point ]

76-77°C/14mm
[density ]

1.306±0.06 g/cm3(Predicted)
[Fp ]

76-77°C/14mm
[storage temp. ]

Store at room temperature
[form ]

powder
[pka]

3.37±0.20(Predicted)
[color ]

White
[InChI]

1S/C8H11F3O2/c9-8(10,11)7(6(12)13)4-2-1-3-5-7/h1-5H2,(H,12,13)
[InChIKey]

VFSFTDFBHSFDEE-UHFFFAOYSA-N
[SMILES]

OC(=O)C1(CCCCC1)C(F)(F)F
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN3261
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

2916200090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Uses]

1-(TRIFLUOROMETHYL)CYCLOHEXANE-1-CARBOXYLIC ACID (cas# 180918-40-5) is a useful research chemical. It is used in the preparation of dimethyltrifluoroethyl heteroarenes via dimethyltrifluoroethylation and cyclization of isonitriles with trifluorodimethylpropanoic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

3,3,3-TRIFLUORO-2,2-DIMETHYLPROPIONIC ACID(180918-40-5)1HNMR
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