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CAS No.: | 608-36-6 |
---|---|
Name: | meso-2,3-Dibromosuccinic acid |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C4H4Br2O4 |
Molecular Weight: | 275.881 |
Synonyms: | 2,3-dibromobutanedioic acid |
EINECS: | 208-396-9 |
Density: | 2.486 g/cm3 |
Melting Point: | 288-290 °C(lit.) |
Boiling Point: | 262.4 °C at 760 mmHg |
Flash Point: | 112.5 °C |
Solubility: | 20 g/L (17 °C) |
Hazard Symbols: | Xi; C |
Risk Codes: | 34-36/37/38 |
Safety: | 26-36/37/39-45-24/25 |
Transport Information: | UN 3261 8/PG 2 |
PSA: | 74.60000 |
LogP: | 0.68260 |
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The CAS registry number of Butanedioic acid, 2,3-dibromo-,(2R,3S)-rel- is 608-36-6. The systematic name is (2R,3S)-2,3-dibromobutanedioic acid. In addition, the molecular formula is C4H4Br2O4 and the molecular weight is 275.88. It is a kind of white to pale yellow-beige powder and belongs to the classes of Carboxylic Acid Monomers; Monomers; Polymer Science. It should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.38; (4)ACD/LogD (pH 7.4): -2.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 39.09 cm3; (15)Molar Volume: 110.9 cm3; (16)Polarizability: 15.49×10-24cm3; (17)Surface Tension: 82.1 dyne/cm; (18)Density: 2.486 g/cm3; (19)Flash Point: 112.5 °C; (20)Enthalpy of Vaporization: 55.06 kJ/mol; (21)Boiling Point: 262.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00323 mmHg at 25°C.
Preparation and uses of Butanedioic acid,2,3-dibromo-,(2R,3S)-rel-: it can be prepared by transbutenedioic acid and hydrobromic acid with water. Add transbutenedioic acid, hydrobromic acid and water into flask, then heat it to 70 °C with stirring. Then add bromine into the mixture slowly with sirring. This reaction needs refluxing for 4 hours. Then you can get the product via a series of cooling, filtration and crystallization. And it can be used in organic synthesis.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It causes burns. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Br[C@H](C(=O)O)[C@@H](Br)C(=O)O
(2)InChI: InChI=1/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)/t1-,2+
(3)InChIKey: FJWGRXKOBIVTFA-XIXRPRMCBD