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64028-90-6

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Basic Information
CAS No.: 64028-90-6
Name: (S)-1,4-DIBROMO-2-BUTANOL
Article Data: 3
Molecular Structure:
Molecular Structure of 64028-90-6 ((S)-1,4-DIBROMO-2-BUTANOL)
Formula: C4H8Br2O
Molecular Weight: 231.915
Synonyms: 2-Butanol,1,4-dibromo-, (S)-;(S)-1,4-Dibromobutan-2-ol;
Density: 1.951 g/cm3
Melting Point: 33-36 °C
Boiling Point: 220.1 °C at 760 mmHg
Flash Point: 116.5 °C
Appearance: clear light brown liquid
Safety: 24/25
PSA: 20.23000
LogP: 1.52720
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Specification

The 2-Butanol,1,4-dibromo-, (2S)-, with the CAS registry number 64028-90-6, is also known as 1,4-Dibromobutan-2-ol. This chemical's molecular formula is C4H8Br2O and molecular weight is 231.91. Its systematic name is called (2S)-1,4-dibromobutan-2-ol. This chemical is clear light brown liquid. When you are using this chemical, you should avoid contacting it with skin and eyes.

Physical properties of 2-Butanol,1,4-dibromo-, (2S)-: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.19; (6)ACD/BCF (pH 7.4): 5.19; (7)ACD/KOC (pH 5.5): 113.14; (8)ACD/KOC (pH 7.4): 113.14; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 37.53 cm3; (14)Molar Volume: 118.8 cm3; (15)Surface Tension: 46.1 dyne/cm; (16)Density: 1.951 g/cm3; (17)Flash Point: 116.5 °C; (18)Enthalpy of Vaporization: 53.09 kJ/mol; (19)Boiling Point: 220.1 °C at 760 mmHg; (20)Vapour Pressure: 0.024 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC[C@H](O)CBr
(2)InChI: InChI=1/C4H8Br2O/c5-2-1-4(7)3-6/h4,7H,1-3H2/t4-/m0/s1
(3)InChIKey: PSSRAPMBSMSACN-BYPYZUCNBV