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| CAS No.: | 14396-65-7 |
|---|---|
| Name: | 1,4-Dibromo-2,3-butanediol |
| Molecular Structure: | |
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| Formula: | C4H8Br2O2 |
| Molecular Weight: | 247.91 |
| Synonyms: | 1,4-Dibromo-2,3-butanediol;NSC 142325; |
| Density: | 2.124 g/cm3 |
| Melting Point: | 82-84 °C(lit.) |
| Boiling Point: | 365.3 °C at 760 mmHg |
| Flash Point: | 174.7 °C |
| Hazard Symbols: |
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| Risk Codes: | 37/38-41 |
| Safety: | 26-39 |
| PSA: | 40.46000 |
| LogP: | 0.49800 |
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Specification
The 1,4-Dibromo-2,3-butanediol with its cas register number is 14396-65-7. It also can be called as 2,3-Butanediol,1,4-dibromo- and the IUPAC Name about this chemical is 1,4-dibromobutane-2,3-diol. It belongs to the following product categories, such as Organic Building Blocks, Oxygen Compounds, Polyols and so on.
Physical properties about 1,4-Dibromo-2,3-butanediol are: (1)ACD/LogP: 0.25; (2)ACD/LogD (pH 5.5): 0.24; (3)ACD/LogD (pH 7.4): 0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32.37; (7)ACD/KOC (pH 7.4): 32.37; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 18.46Å2; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 39.03 cm3; (14)Molar Volume: 116.6 cm3; (15)Polarizability: 15.47x10-24cm3; (16)Surface Tension: 59.2 dyne/cm; (17)Enthalpy of Vaporization: 70.79 kJ/mol; (18)Vapour Pressure: 8.09E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to respiratory system and skin, it has risk of serious damage to the eyes. When you are using it, wear eye / face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(CBr)O)O)Br
(2)InChI: InChI=1S/C4H8Br2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2
(3)InChIKey: XOWDQAHYPSENAC-UHFFFAOYSA-N