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19953-61-8

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Basic Information
CAS No.: 19953-61-8
Name: 1,4-Dibromo-2,3-butanediol
Article Data: 17
Molecular Structure:
Molecular Structure of 19953-61-8 (1,4-Dibromo-2,3-butanediol)
Formula: C4H8Br2O2
Molecular Weight: 247.91
Synonyms: 1,4-Dibromo-2,3-butanediol;
Density: 2.124 g/cm3
Melting Point: 82-84℃
Boiling Point: 365.3 °C at 760 mmHg
Flash Point: 174.7 °C
Hazard Symbols: R37/38:; R41:;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
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  • 1,4-DIBROMO-2,3-BUTANEDIOLCAS

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    1,4-DIBROMO-2,3-BUTANEDIOLCAS

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Specification

The 2, 3-Butanediol, 1, 4-dibromo-, with the CAS registry number 19953-61-8, is also known as 1, 4-Dibromo-2, 3-dihydroxybutane. This chemical's molecular formula is C4H8Br2O2 and molecular weight is 247.91. What's more, its systematic name is 1, 4-Dibromobutane-2, 3-diol.

Physical properties about 2, 3-Butanediol, 1, 4-dibromo- are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.37; (8)ACD/KOC (pH 7.4): 32.37; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 39.03 cm3; (15)Molar Volume: 116.6 cm3; (16)Polarizability: 15.47×10-24 cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 2.124 g/cm3; (19)Flash Point: 174.7 °C; (20)Enthalpy of Vaporization: 70.79 kJ/mol; (21)Boiling Point: 365.3 °C at 760 mmHg; (22)Vapour Pressure: 8.09E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCC(O)C(O)CBr
(2) InChI: InChI=1/C4H8Br2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2
(3) InChIKey: XOWDQAHYPSENAC-UHFFFAOYAE