ChemicalBook--->CAS DataBase List--->113798-74-6

113798-74-6

113798-74-6 Structure

113798-74-6 Structure
IdentificationMore
[Name]

2,3,6-TRIFLUOROPHENOL
[CAS]

113798-74-6
[Synonyms]

2,3,6-TRIFLUOROPHENOL
Phenol, 2,3,6-trifluoro-(9CI)
2,3,6-Trifluorophenol 98%
2,3,6-Trifluorophenol98%
[Molecular Formula]

C6H3F3O
[MDL Number]

MFCD00061214
[Molecular Weight]

148.08
[MOL File]

113798-74-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear light yellow liquid after melting
[Melting point ]

33-37 °C (lit.)
[Boiling point ]

137.0±35.0 °C(Predicted)
[density ]

1.456 g/cm
[Fp ]

147 °F
[storage temp. ]

Sealed in dry,2-8°C
[form ]

powder to lump to clear liquid
[pka]

6.45±0.15(Predicted)
[color ]

White or Colorless to Yellow to Orange
[Water Solubility ]

Soluble in water (47.267 mg/L est.)
[BRN ]

4976927
[InChI]

1S/C6H3F3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
[InChIKey]

QSFGUSFDWCVXNR-UHFFFAOYSA-N
[SMILES]

Oc1c(F)ccc(F)c1F
[CAS DataBase Reference]

113798-74-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H228-H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P210-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

4.1
[PackingGroup ]

III
[HS Code ]

29081990
[Storage Class]

4.1B - Flammable solid hazardous materials
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Sol. 1
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

clear light yellow liquid after melting
[Uses]

2,3,6-Trifluorophenol may be employed as model compound to investigate the site-selective functionalization of halogen-bearing phenols by organometallic approach.
[General Description]

2,3,6-Trifluorophenol is a fluorinated phenol. Biotransformation of 2,3,6-trifluorophenol has been studied by 19FNMR technique.
Spectrum DetailBack Directory
[Spectrum Detail]

2,3,6-TRIFLUOROPHENOL(113798-74-6)1HNMR
2,3,6-TRIFLUOROPHENOL(113798-74-6)Raman
2,3,6-TRIFLUOROPHENOL(113798-74-6)FT-IR
2,3,6-TRIFLUOROPHENOL(113798-74-6)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,3,6-Trifluorophenol, 98%(113798-74-6)
[Sigma Aldrich]

113798-74-6(sigmaaldrich)
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