CAS No.57044-24-3,(R)-(+)-4-CHLOROMETHYL-2,2-DIMETHYL-1,3-DIOXOLANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57044-24-3
Name:	(R)-(+)-4-CHLOROMETHYL-2,2-DIMETHYL-1,3-DIOXOLANE
Article Data:	7

Formula:	C₆H₁₁ClO₂
Molecular Weight:	150.605
Synonyms:	1,3-Dioxolane,4-(chloromethyl)-2,2-dimethyl-, (R)-;(R)-3-Chloro-1,2-propanediol acetonide;(R)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane;(R)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane;
EINECS:	-0
Density:	1.103 g/cm³
Boiling Point:	156 °C at 760 mmHg
Flash Point:	54.5 °C
Hazard Symbols:	Xi
Risk Codes:	10-41
Safety:	16-26-36
Transport Information:	UN 1993
PSA:	18.46000
LogP:	1.37670

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Specification

The (R)-(+)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane, with the cas registry number 57044-24-3, has the systematic name of (4R)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane. It is a kind of clear colorless to yellow liquid, and belongs to the following product categories: Heterocyclic Compounds; Chiral Building Blocks; Organic Building Blocks; Protected Alcohols. And the molecular formula of the chemical is C₆H₁₁ClO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.53; (6)ACD/BCF (pH 7.4): 2.53; (7)ACD/KOC (pH 5.5): 67.67; (8)ACD/KOC (pH 7.4): 67.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 35.91 cm³; (15)Molar Volume: 141.6 cm³; (16)Polarizability: 14.23×10^-24cm³; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 1.063 g/cm³; (19)Flash Point: 54.5 °C; (20)Enthalpy of Vaporization: 37.65 kJ/mol; (21)Boiling Point: 156 °C at 760 mmHg; (22)Vapour Pressure: 3.8 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is flammable, and has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC[C@@H]1OC(OC1)(C)C
(2)InChI: InChI=1/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3/t5-/m0/s1
(3)InChIKey: BNPOTXLWPZOESZ-YFKPBYRVBA