CAS No.432037-43-9,Butanedioic, 1-(chloromethyl)-4-t-butyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	432037-43-9
Name:	Butanedioic, 1-(chloromethyl)-4-t-butyl ester
Article Data:	5

Formula:	C₉H₁₅ Cl O₄
Molecular Weight:	222.669
Synonyms:	Butanedioicacid, chloromethyl 1,1-dimethylethyl ester (9CI);Chloromethyl tert-butylsuccinate;
Density:	1.139
Boiling Point:	255 ºC
Flash Point:	93 ºC
PSA:	52.60000
LogP:	1.84780

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Specification

The Chloromethyl tert-butyl succinate, with the cas registry number 432037-43-9, has the systematic name of tert-butyl chloromethyl butanedioate.

The physical properties of this chemical are as follows: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.73; (6)ACD/BCF (pH 7.4): 10.73; (7)ACD/KOC (pH 5.5): 190.21; (8)ACD/KOC (pH 7.4): 190.21; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 ; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 52.1 cm³; (15)Molar Volume: 195.4 cm³; (16)Polarizability: 20.65 ×10^-24 cm³; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 1.139 g/cm³; (19)Flash Point: 93.3 °C; (20)Enthalpy of Vaporization: 49.23 kJ/mol; (21)Boiling Point: 254.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0169 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:CC(C)(C)OC(=O)CCC(=O)OCCl
(2)InChI:InChI=1/C9H15ClO4/c1-9(2,3)14-8(12)5-4-7(11)13-6-10/h4-6H2,1-3H3
(3)InChIKey:ZEHMWPBRDVLBMH-UHFFFAOYAJ