(3-(Bromomethyl)oxetan-3-yl)methanol supplier

Name
3-Bromomethyl-3-oxetanemethanol
EINECS
CAS No. 22633-44-9
Article Data14
CAS DataBase
Density 1.598g/cm³
Solubility
Melting Point
Formula C₅H₉BrO₂
Boiling Point 242.4 °C at 760 mmHg
Molecular Weight 181.029
Flash Point 100.4 °C
Transport Information
Appearance
Safety 23-26-37-60
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(Bromomethyl)-3-(hydroxymethyl)oxetane;3-(Bromomethyl)-3-oxetanemethanol;[3-(Bromomethyl)oxetan-3-yl]methanol;
PSA 29.46000
LogP 0.39020

(3-(Bromomethyl)oxetan-3-yl)methanol Specification

The 3-Oxetanemethanol,3-(bromomethyl)-, with CAS registry number 22633-44-9, belongs to the following product categories: (1)Methyl Halides; (2)Ring Systems. It has the systematic name of [3-(bromomethyl)oxetan-3-yl]methanol. And the chemical formula of this chemical is C₅H₉BrO₂.

Physical properties of 3-Oxetanemethanol,3-(bromomethyl)-: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.13; (8)ACD/KOC (pH 7.4): 20.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 34 cm³; (15)Molar Volume: 113.2 cm³; (16)Polarizability: 13.47×10^-24cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.598 g/cm³; (19)Flash Point: 100.4 °C; (20)Enthalpy of Vaporization: 55.71 kJ/mol; (21)Boiling Point: 242.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00582 mmHg at 25°C.

Uses of 3-Oxetanemethanol,3-(bromomethyl)-: it can be used to produce methanesulfonic acid 3-bromomethyl-oxηn-3-ylmethyl ester. This reaction will need reagent NEt₃ and solvent toluene. The yield is about 68%.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC1(CO)COC1
(2)InChI: InChI=1/C5H9BrO2/c6-1-5(2-7)3-8-4-5/h7H,1-4H2
(3)InChIKey: SESXZSLSTRITGO-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H9BrO2/c6-1-5(2-7)3-8-4-5/h7H,1-4H2
(5)Std. InChIKey: SESXZSLSTRITGO-UHFFFAOYSA-N

Product Name

3-Bromomethyl-3-oxetanemethanol

(3-(Bromomethyl)oxetan-3-yl)methanol Specification

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