CAS No.1985-88-2,4-Chloro-2-methyl-2-butanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1985-88-2
Name:	4-Chloro-2-methyl-2-butanol
Article Data:	16

Formula:	C₅H₁₁ClO
Molecular Weight:	122.595
Synonyms:	4-Chloro-2-methyl-2-butanol;
Density:	1.021 g/cm³
Boiling Point:	178.6 °C at 760 mmHg
Flash Point:	81.4 °C
Risk Codes:	41
Safety:	26-39
PSA:	20.23000
LogP:	1.38620

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Specification

The 2-Butanol,4-chloro-2-methyl-, with CAS registry number 1985-88-2, belongs to the following product categories: (1)All Aliphatics; (2)Aliphatics. It has the systematic name of 4-chloro-2-methylbutan-2-ol. Besides this, it is also called 4-Chloro-2-methyl-2-butanol. And the chemical formula of this chemical is C₅H₁₁ClO.

Physical properties of 2-Butanol,4-chloro-2-methyl-: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.78; (6)ACD/BCF (pH 7.4): 4.78; (7)ACD/KOC (pH 5.5): 106.72; (8)ACD/KOC (pH 7.4): 106.72; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 31.56 cm³; (15)Molar Volume: 120 cm³; (16)Polarizability: 12.51×10^-24cm³; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 1.021 g/cm³; (19)Flash Point: 81.4 °C; (20)Enthalpy of Vaporization: 48.29 kJ/mol; (21)Boiling Point: 178.6 °C at 760 mmHg; (22)Vapour Pressure: 0.295 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-chloro-propionic acid ethyl ester and solvent methylmagnesium bromide. This reaction will need reagents tetrahydrofuran, diethyl ether. The reaction time is 4 hour(s). The yield is about 67%.

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