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| CAS No.: | 1450-81-3 |
|---|---|
| Name: | 2,5-DIBROMOVALERIC ACID |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C5H8Br2O2 |
| Molecular Weight: | 259.925 |
| Synonyms: | Valericacid, 2,5-dibromo- (7CI,8CI);2,5-Dibromopentanoic acid;2,5-Dibromovalericacid; |
| Density: | 1.962 g/cm3 |
| Boiling Point: | 308 °C at 760 mmHg |
| Flash Point: | 140.1 °C |
| PSA: | 37.30000 |
| LogP: | 2.00960 |
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Specification
The 2,5-Dibromopentanoic acid with the CAS number 1450-81-3 is also called Pentanoic acid,2,5-dibromo-. Its molecular formula is C5H8Br2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.13; (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: 4; (10)Polar Surface Area: 37.3Å2; (11)Index of Refraction: 1.55; (12)Molar Refractivity: 42.2 cm3; (13)Molar Volume: 132.4 cm3; (14)Polarizability: 16.72×10-24cm3; (15)Surface Tension: 51.3 dyne/cm; (16)Enthalpy of Vaporization: 60.34 kJ/mol; (17)Vapour Pressure: 0.000157 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(CCCBr)C(O)=O
(2)InChI: InChI=1/C5H8Br2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3H2,(H,8,9)
(3)InChIKey: JDAVNLLRFXIKKD-UHFFFAOYAF