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69711-44-0

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Basic Information
CAS No.: 69711-44-0
Name: 1,4-DICHLORO-3-BUTEN-2-ONE
Article Data: 3
Molecular Structure:
Molecular Structure of 69711-44-0 (1,4-DICHLORO-3-BUTEN-2-ONE)
Formula: C4H4Cl2O
Molecular Weight: 138.981
Synonyms: 3-Buten-2-one,1,4-dichloro-, (E)- (9CI);(3E)-1,4-Dichlorobut-3-en-2-one;
Density: 1.286 g/cm3
Boiling Point: 192.3 °C at 760 mmHg
Flash Point: 74.4 °C
PSA: 17.07000
LogP: 1.54680
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Specification

The CAS register number of 3-Buten-2-one,1,4-dichloro-, (3E)- is 69711-44-0. It also can be called as 1,4-Dichloro-3-Buten-2-One and the systematic name about this chemical is (3E)-1,4-dichlorobut-3-en-2-one. The molecular formula about this chemical is C4H4Cl2O and the molecular weight is 138.97996.

Physical properties about 3-Buten-2-one,1,4-dichloro-, (3E)- are: (1)ACD/LogP: 0.53; (2)ACD/LogD (pH 5.5): 0.53; (3)ACD/LogD (pH 7.4): 0.53; (4)ACD/BCF (pH 5.5): 1.5; (5)ACD/BCF (pH 7.4): 1.5; (6)ACD/KOC (pH 5.5): 46.47; (7)ACD/KOC (pH 7.4): 46.47; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.473; (12)Molar Refractivity: 30.36 cm3; (13)Molar Volume: 108 cm3; (14)Polarizability: 12.03x10-24cm3; (15)Surface Tension: 33.7 dyne/cm; (16)Enthalpy of Vaporization: 42.85 kJ/mol; (17)Boiling Point: 192.3 °C at 760 mmHg; (18)Vapour Pressure: 0.492 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)C=[C@H]Cl
(2)InChI: InChI=1/C4H4Cl2O/c5-2-1-4(7)3-6/h1-2H,3H2/b2-1+
(3)InChIKey: HFDIJTIPFVXOED-OWOJBTEDBC
(4)Std. InChI: InChI=1S/C4H4Cl2O/c5-2-1-4(7)3-6/h1-2H,3H2/b2-1+
(5)Std. InChIKey: HFDIJTIPFVXOED-OWOJBTEDSA-N