1-Propanol,3-bromo-2,2-dimethyl- (40894-00-6)

The CAS register number of 3-Bromo-2,2-dimethyl-1-propanol is 40894-00-6. It also can be called as 1-Propanol,3-bromo-2,2-dimethyl- and the IUPAC name about this chemical is 3-bromo-2,2-dimethylpropan-1-ol. The molecular formula about this chemical is C₅H₁₁BrO and molecular weight is 167.04. It belongs to the following product categories, such as Industrial/Fine Chemicals; Alcohols; C2 to C6; Oxygen Compounds and so on.

Physical properties about 3-Bromo-2,2-dimethyl-1-propanol are: (1)ACD/LogP: 1.03; (2)ACD/LogD (pH 5.5): 1.03; (3)ACD/LogD (pH 7.4): 1.03; (4)ACD/BCF (pH 5.5): 3.59; (5)ACD/BCF (pH 7.4): 3.59; (6)ACD/KOC (pH 5.5): 86.82; (7)ACD/KOC (pH 7.4): 86.82; (8)#H bond acceptors: 1; (9)#H bond dnoors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23Ų; (12)Index of Refraction: 1.477; (13)Molar Refractivity: 34.44 cm³; (14)Molar Volume: 121.8 cm³; (15)Polarizability: 13.65x10^-24cm³; (16)Surface Tension: 34.4 dyne/cm; (17)Enthalpy of Vaporization: 49.57 kJ/mol; (18)Boiling Point: 189.7 °C at 760 mmHg; (19)Vapour Pressure: 0.153 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2-dimethyl-propane-1,3-diol. This reaction will need reagent hydrobromic acid.

Uses of 3-Bromo-2,2-dimethyl-1-propanol: it can be used to produce 3,3-dimethyl-oxetan. This reaction will need reagent aqueous KOH-solution.

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: BrCC(C)(C)CO
(2)InChI: InChI=1/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
(3)InChIKey: KQOQXYPZBYTICM-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
(5)Std. InChIKey: KQOQXYPZBYTICM-UHFFFAOYSA-N