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14569-76-7

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Basic Information
CAS No.: 14569-76-7
Name: But-2-ynylene bis(chloroacetate)
Article Data: 3
Molecular Structure:
Molecular Structure of 14569-76-7 (But-2-ynylene bis(chloroacetate))
Formula: C8H8Cl2O4
Molecular Weight: 239.055
Synonyms: 4-(2-chloroacetyl)oxybut-2-ynyl 2-chloroacetate;
EINECS: 238-612-7
Density: 1.376 g/cm3
Melting Point: 62.8-63.3 °C
Boiling Point: 346 °C at 760 mmHg
Flash Point: 149.8 °C
PSA: 52.60000
LogP: 0.55380
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Specification

This chemical is called But-2-ynylene bis(chloroacetate), and it can also be named as but-2-yne-1,4-diyl bis(chloroacetate). With the molecular formula of C8H8Cl2O4, its molecular weight is 239.05. The CAS registry number of this chemical is 14569-76-7.

Other characteristics of the But-2-ynylene bis(chloroacetate) can be summarised as followings: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.13; (6)ACD/BCF (pH 7.4): 8.13; (7)ACD/KOC (pH 5.5): 155.96; (8)ACD/KOC (pH 7.4): 155.96; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 50.36 cm3; (15)Molar Volume: 173.6 cm3; (16)Polarizability: 19.96×10-24cm3; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.376 g/cm3; (19)Flash Point: 149.8 °C; (20)Enthalpy of Vaporization: 59.01 kJ/mol; (21)Boiling Point: 346 °C at 760 mmHg; (22)Vapour Pressure: 5.93E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: ClCC(=O)OCC#CCOC(=O)CCl
2.InChI: InChI=1/C8H8Cl2O4/c9-5-7(11)13-3-1-2-4-14-8(12)6-10/h3-6H2
3.InChIKey: GJBMLYJEBNBVPR-UHFFFAOYAX