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51219-87-5

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Basic Information
CAS No.: 51219-87-5
Name: 1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL-D2
Molecular Structure:
Molecular Structure of 51219-87-5 (1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL-D2)
Formula: C3D2F6O
Molecular Weight: 186.022
Synonyms: O,O-DEUTERIO-1,1,1,3,3,3-HEXAFLUOROPROPAN-2,2-DIOL;1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL-D2;1,1,1,3,3,3-HEXAFLUOROISOPROPYL ALCOHOL;1,1,1,3,3,3-HEXAFLUOROISOPROPANOL-D2;DEUTEROHEXAFLUOROISOPROPANOL;HEXAFLUORO-2-PROPYLALCOHOL-D2;HEXAFLUOROISOPROPYL ALCOHOL D2;HEXAFLUOROISOPROPANOL D2
Density: 1.564 g/cm3
Melting Point: -4 °C
Boiling Point: 59°C at 760 mmHg
Hazard Symbols: CorrosiveC
Risk Codes: 20/21/22-34
Safety: 26-27-28-36/37/39
Transport Information: UN 3265
PSA: 40.46000
LogP: 0.79190
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Specification

The CAS registry number of 2,2-Propanediol-d2,1,1,1,3,3,3-hexafluoro- (9CI) is 51219-87-5. This chemical is also known as 1,1,1,3,3,3-Hexafluoro-2-propanol-d2. Its molecular formula is C3D2F6O and molecular weight is 170.05. Its systematic name is called 1,1,1,3,3,3-hexafluoro(2H)propan-2-(2H)ol.

Physical properties about this chemical are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.71; (6)ACD/BCF (pH 7.4): 16.64; (7)ACD/KOC (pH 5.5): 261.22; (8)ACD/KOC (pH 7.4): 260.08; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.268; (13)Molar Refractivity: 18.35 cm3; (14)Molar Volume: 108.7 cm3; (15)Surface Tension: 14.6 dyne/cm; (16)Density: 1.564 g/cm3; (17)Enthalpy of Vaporization: 35.17 kJ/mol; (18)Vapour Pressure: 159 mmHg at 25°C; (19)Boiling Point: 59°C at 760 mmHg; (20)Melting Point: -4 °C.

When you are using this chemical, please be cautious about it as the following:
This  chemical may destroy living tissue on contact. In addition, it may cause burns. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C([2H])(O[2H])C(F)(F)F
(2)InChI: InChI=1/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H/i1D,10D
(3)InChIKey: BYEAHWXPCBROCE-AWPANEGFEK&nbsp