1,3-Butanediol,4,4,4-trifluoro-, (3R)- supplier

Name
(R)-4,4,4-TRIFLUOROBUTANE-1,3-DIOL
EINECS
CAS No. 135859-36-8
Article Data5
CAS DataBase
Density 1.354 g/cm³
Solubility
Melting Point
Formula C₄H₇F₃O₂
Boiling Point 188.1 °C at 760 mmHg
Molecular Weight 144.094
Flash Point 67.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 1,3-Butanediol,4,4,4-trifluoro-, (R)-;(R)-4,4,4-Trifluoro-1,3-butanediol;
PSA 40.46000
LogP 0.29200

1,3-Butanediol,4,4,4-trifluoro-, (3R)- Specification

The 1,3-Butanediol,4,4,4-trifluoro-, (3R)- is an organic compound with the formula C₄H₇F₃O₂. The IUPAC name of this chemical is (3R)-4,4,4-trifluorobutane-1,3-diol. With the CAS registry number 135859-36-8, it is also named as (R)-4,4,4-Trifluorobutane-1,3-diol.

Physical properties about 1,3-Butanediol,4,4,4-trifluoro-, (3R)- are: (1)ACD/LogP: 0.01; (2)ACD/LogD (pH 5.5): 0.01; (3)ACD/LogD (pH 7.4): 0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 24.2; (7)ACD/KOC (pH 7.4): 24.2; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46 Å²; (12)Index of Refraction: 1.37; (13)Molar Refractivity: 24.06 cm³; (14)Molar Volume: 106.3 cm³; (15)Polarizability: 9.54×10^-24cm³; (16)Surface Tension: 28.5 dyne/cm; (17)Density: 1.354 g/cm³; (18)Flash Point: 67.6 °C; (19)Enthalpy of Vaporization: 49.39 kJ/mol; (20)Boiling Point: 188.1 °C at 760 mmHg; (21)Vapour Pressure: 0.168 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)[C@H](O)CCO
(2)InChI: InChI=1/C4H7F3O2/c5-4(6,7)3(9)1-2-8/h3,8-9H,1-2H2/t3-/m1/s1
(3)InChIKey: SCLIIHMYYAHRGK-GSVOUGTGBU
(4)Std. InChI: InChI=1S/C4H7F3O2/c5-4(6,7)3(9)1-2-8/h3,8-9H,1-2H2/t3-/m1/s1
(5)Std. InChIKey: SCLIIHMYYAHRGK-GSVOUGTGSA-N

Product Name

(R)-4,4,4-TRIFLUOROBUTANE-1,3-DIOL

1,3-Butanediol,4,4,4-trifluoro-, (3R)- Specification

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