Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol supplier

Name
HEXAFLUORO-2,3-BIS(TRIFLUOROMETHYL)BUTANE-2,3-DIOL
EINECS
CAS No. 918-21-8
Article Data14
CAS DataBase
Density 1.774 g/cm³
Solubility
Melting Point 18 °C
Formula C₆H₂F₁₂O₂
Boiling Point 379.8 °C at 760 mmHg
Molecular Weight 334.062
Flash Point 183.5 °C
Transport Information
Appearance
Safety 26-36/37/39-45-36/37-28
Risk Codes 22
Molecular Structure
Hazard Symbols Xi,Xn,T+
Synonyms Dodecafluoropinacol;Perfluoropinacol;Perfluoropinacone;1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol;2,3-Butanediol, 1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-;2,3-Bis(trifluoromethyl)-1,1,1,4,4,4-hexafluorobutane-2,3-diol;Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol;
PSA 40.46000
LogP 2.69780

Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol Specification

The 2,3-Butanediol,1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-, with the CAS registry number 918-21-8, has the systematic name and IUPAC name of 1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol. It is harmful if swallowed. And the molecular formula of the chemical is C₆H₂F₁₂O₂.

The characteristics of 2,3-Butanediol,1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)- are as followings: (1)ACD/LogP: 10.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.13; (4)ACD/LogD (pH 7.4): 9.9; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 40.46 Å²; (9)Index of Refraction: 1.295; (10)Molar Refractivity: 34.67 cm³; (11)Molar Volume: 188.2 cm³; (12)Polarizability: 13.74×10^-24cm³; (13)Surface Tension: 18.2 dyne/cm; (14)Density: 1.774 g/cm³; (15)Flash Point: 183.5 °C; (16)Enthalpy of Vaporization: 72.63 kJ/mol; (17)Boiling Point: 379.8 °C at 760 mmHg; (18)Vapour Pressure: 2.49E-07 mmHg at 25°C.

Preparation of 2,3-Butanediol,1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-: This chemical can be prepared by 1,1,1,3,3,3-hexafluoro-propan-2-one. The reaction will need reagent Mg and HgCl₂, and the menstruum dimethylformamide. The reaction time is 1 hour, and the yield is about 80%.

Uses of 2,3-Butanediol,1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-: It can react with 2,2'-methylazanediyl-bis-ethanol to produce 9-methyl-2,2,3,3-tetrakis-trifluoromethyl-1,4,6,12-tetraoxa-9-aza-5-sila-sπro[4.7]dodecane. This reaction will need heating, and the yield is about 53%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(C(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)(C(F)(F)F)O
(2)InChI: InChI=1/C6H2F12O2/c7-3(8,9)1(19,4(10,11)12)2(20,5(13,14)15)6(16,17)18/h19-20H
(3)InChIKey: GKDCWKGUOZVDFX-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	32mg/kg (32mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03171,

Product Name

HEXAFLUORO-2,3-BIS(TRIFLUOROMETHYL)BUTANE-2,3-DIOL

Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol Specification

Related Products

Hot Products