3-Chloro-2,2-dimethyl-1-propanol

The CAS register number of 3-Chloro-2,2-dimethyl-1-propanol is 13401-56-4. It also can be called as 1-Propanol, 3-chloro-2,2-dimethyl- and the IUPAC name about this chemical is 3-chloro-2,2-dimethylpropan-1-ol. Classification code about this chemical is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about 3-Chloro-2,2-dimethyl-1-propanol are: (1)ACD/LogP: 1.20; (2)ACD/LogD (pH 5.5): 1.2; (3)ACD/LogD (pH 7.4): 1.2; (4)ACD/BCF (pH 5.5): 4.78; (5)ACD/BCF (pH 7.4): 4.78; (6)ACD/KOC (pH 5.5): 106.72; (7)ACD/KOC (pH 7.4): 106.72; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 31.56 cm³; (14)Molar Volume: 120 cm³; (15)Polarizability: 12.51x10^-24cm³; (16)Surface Tension: 30.2 dyne/cm; (17)Enthalpy of Vaporization: 46.59 kJ/mol; (18)Boiling Point: 163.5 °C at 760 mmHg; (19)Vapour Pressure: 0.699 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,3-dimethyl-oxetane. This reaction will need reagent 4-N,N-dimethylaminopyridine, POCl₃ and solvent CH₂Cl₂. The reaction temperature is 20 ℃. The yield is about 80%.

Uses of 3-Chloro-2,2-dimethyl-1-propanol: it can be used to produce 3-chloro-2,2-dimethyl-propionaldehyde. This reaction will need reagent K₂Cr₂O₇, aq. H₂SO₄ and solvent benzene.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(C)(C)CO
(2)InChI: InChI=1/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
(3)InChIKey: CAZPRAORHCOIHC-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
(5)Std. InChIKey: CAZPRAORHCOIHC-UHFFFAOYSA-N