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| CAS No.: | 29547-04-4 |
|---|---|
| Name: | METHYL 2,4-DIBROMOBUTYRATE |
| Molecular Structure: | |
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| Formula: | C5H8Br2O2 |
| Molecular Weight: | 259.925 |
| Synonyms: | Nsc167181;Methyl 2,4-dibromobutanoate;Butanoic acid,2,4-dibromo-methyl ester; |
| Density: | 1.839 g/cm3 |
| Boiling Point: | 236.9 °C at 760 mmHg |
| Flash Point: | 97.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.30000 |
| LogP: | 1.70790 |
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Specification
The Butanoic acid,2,4-dibromo-,methyl ester has CAS registry number 29547-04-4. The molecular formula of this chemical is C5H8Br2O2 and its molecular weight is 259.92. What's more, its IUPAC name is Methyl 2,4-dibromobutanoate. In addition, it must be stored at 2-8 °C.
Physical properties about Butanoic acid,2,4-dibromo-,methyl ester are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 42.41 cm3; (9)Molar Volume: 141.2 cm3; (10)Polarizability: 16.81×10-24 cm3; (11)Surface Tension: 40.9 dyne/cm; (12)Density: 1.839 g/cm3; (13)Flash Point: 97.1 °C; (14)Enthalpy of Vaporization: 47.37 kJ/mol; (15)Boiling Point: 236.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0463 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. 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) SMILES: BrC(C(=O)OC)CCBr
(2) InChI: InChI=1/C5H8Br2O2/c1-9-5(8)4(7)2-3-6/h4H,2-3H2,1H3
(3) InChIKey: DQHIGEQXJBMKKY-UHFFFAOYAW