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| CAS No.: | 600-30-6 |
|---|---|
| Name: | 2,3-DIBROMOBUTYRIC ACID |
| Article Data: | 33 |
| Molecular Structure: | |
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|
|
| Formula: | C4H6Br2O2 |
| Molecular Weight: | 245.898 |
| Synonyms: | Butyricacid, 2,3-dibromo- (6CI,7CI,8CI);2,3-Dibromobutyric acid;NSC 6207;a,b-Dibromobutanoic acid; |
| EINECS: | 209-992-1 |
| Density: | 2.114g/cm3 |
| Melting Point: | 86-90 °C |
| Boiling Point: | 265.8 °C at 760 mmHg |
| Flash Point: | 114.5 °C |
| Appearance: | white fine crystalline powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 28A-26 |
| PSA: | 37.30000 |
| LogP: | 1.61790 |
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Specification
The Butanoic acid,2,3-dibromo-, with CAS registry number 600-30-6, belongs to the following product categories: (1)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; (2)Organic acids. It has the systematic name of 2,3-dibromobutanoic acid. This chemical is a kind of white fine crystalline powder. And the chemical formula of this chemical is C4H6Br2O2. What's more, its EINECS is 209-992-1.
Physical properties of Butanoic acid,2,3-dibromo-: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): -1.54; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 37.52 cm3; (15)Molar Volume: 116.3 cm3; (16)Polarizability: 14.87×10-24cm3; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 2.114 g/cm3; (19)Flash Point: 114.5 °C; (20)Enthalpy of Vaporization: 55.45 kJ/mol; (21)Boiling Point: 265.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0026 mmHg at 25°C.
Preparation: this chemical can be prepared by but-2t-enoic acid. This reaction will need reagent Br2.
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Uses of Butanoic acid,2,3-dibromo-: it can be used to produce but-2-enoic acid. This reaction will need reagents NaBH4, NaOH and solvents ethanol, H2O. The yield is about 75%.
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When you are using this chemical, please be cautious about it as the following:
The Butanoic acid,2,3-dibromo- may cause burns. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C)C(Br)C(=O)O
(2)InChI: InChI=1/C4H6Br2O2/c1-2(5)3(6)4(7)8/h2-3H,1H3,(H,7,8)
(3)InChIKey: HESQKTULJLBDRF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C4H6Br2O2/c1-2(5)3(6)4(7)8/h2-3H,1H3,(H,7,8)
(5)Std. InChIKey: HESQKTULJLBDRF-UHFFFAOYSA-N