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| CAS No.: | 63164-16-9 |
|---|---|
| Name: | 2,4-DIBROMOBUTYRIC ACID |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C4H6Br2O2 |
| Molecular Weight: | 245.898 |
| Synonyms: | Butyricacid, 2,4-dibromo- (6CI);2,4-Dibromobutanoic acid;2,4-Dibromobutyric acid; |
| Density: | 2.121 g/cm3 |
| Boiling Point: | 294.1 °C at 760 mmHg |
| Flash Point: | 131.6 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 37.30000 |
| LogP: | 1.61950 |
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- Total:23 Page 1 of 1 1
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Specification
The 2,4-Dibromobutyric acid, with the cas registry number 63164-16-9, is also called butanoic acid, 2,4-dibromo-. It belongs to the product categories of Organic acids. And the molecular formula of the chemical is C4H6Br2O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 37.3Å2; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 37.56 cm3; (13)Molar Volume: 115.9 cm3; (14)Polarizability: 14.89×10-24cm3; (15)Surface Tension: 54.3 dyne/cm; (16)Density: 2.121 g/cm3; (17)Flash Point: 131.6 °C; (18)Enthalpy of Vaporization: 58.71 kJ/mol; (19)Boiling Point: 294.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000406 mmHg at 25°C.
Uses of 2,4-Dibromobutyric acid: It can react with methylamine to produce 2-Methylamino-4-hydroxy-buttersaeure-methylamid. This reaction will need reagent H2O, and the reaction time is 16 hours with temperature of 15-20°C, and the yield is about 80%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrC(CCBr)C(O)=O
(2)InChI: InChI=1/C4H6Br2O2/c5-2-1-3(6)4(7)8/h3H,1-2H2,(H,7,8)
(3)InChIKey: OFBPRWUYMOUQML-UHFFFAOYAG