ChemicalBook--->CAS DataBase List--->133261-33-3

133261-33-3

133261-33-3 Structure

133261-33-3 Structure
IdentificationBack Directory
[Name]

TRANS-4-(TRIFLUOROMETHYL)CYCLOHEXANECARBOXYLIC ACID
[CAS]

133261-33-3
[Synonyms]

rans-4-(Trifluoromethyl)cyclohexane-carboxylicaci
TRANS-4-(TRIFLUOROMETHYL)CYCLOHEXANECARBOXYLICACIID
TRANS-4-(TRIFLUOROMETHYL)CYCLOHEXANECARBOXYLIC ACID
(1R,4R)-4-(TrifluoroMethyl)cyclohexanecarboxylic acid
trans-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
Cyclohexanecarboxylic acid,4-(trifluoromethyl)-,trans-
(1r,4r)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
trans-4-(Trifluoromethyl)cyclohexanecarboxylic Acid
[Molecular Formula]

C8H11F3O2
[MDL Number]

MFCD09037363
[MOL File]

133261-33-3.mol
[Molecular Weight]

196.167
Chemical PropertiesBack Directory
[Melting point ]

154 °C
[Boiling point ]

233.5±35.0 °C(Predicted)
[density ]

1.292±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

4.60±0.10(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C8H11F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h5-6H,1-4H2,(H,12,13)/t5-,6-
[InChIKey]

LMEAZIIFLVDISW-IZLXSQMJSA-N
[SMILES]

[C@@H]1(C(O)=O)CC[C@@H](C(F)(F)F)CC1
Hazard InformationBack Directory
[Uses]

A cyclic haloalkyl substituted carboxylic acid used in the preparation of antiviral agents.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

7/9-26-36/37/39-45
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29162000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-4-(TRIFLUOROMETHYL)CYCLOHEXANECARBOXYLIC ACID(133261-33-3)1HNMR
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