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Pentane, 2,3-dibromo-

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Pentane, 2,3-dibromo-

EINECS 226-427-4
CAS No. 5398-25-4 Density 1.663 g/cm3
PSA 0.00000 LogP 2.94330
Solubility N/A Melting Point -56°C
Formula C5H10Br2 Boiling Point 177 °C at 760 mmHg
Molecular Weight 229.942 Flash Point 54.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5398-25-4 (2,3-DIBROMOPENTANE) Hazard Symbols IrritantXi
Synonyms

Erythro-2,3-dibromopentane;Threo-2,3-dibromopentane;

Article Data 11

Pentane, 2,3-dibromo- Specification

The Pentane, 2,3-dibromo-, with the CAS registry number 5398-25-4, is also known as Erythro-2,3-dibromopentane and Threo-2,3-dibromopentane. Its EINECS registry number is 226-427-4. This chemical's molecular formula is C5H10Br2 and molecular weight is 229.94. What's more, both its IUPAC name and systematic name are the same which is called 2,3-Dibromopentane.

Physical properties about Pentane, 2,3-dibromo- are: (1)ACD/LogP: 3.31; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 191.67; (6)ACD/BCF (pH 7.4): 191.67; (7)ACD/KOC (pH 5.5): 1497.82; (8)ACD/KOC (pH 7.4): 1497.82; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 40.59 cm3; (15)Molar Volume: 138.1 cm3; (16)Surface Tension: 32.5 dyne/cm; (17)Density: 1.663 g/cm3; (18)Flash Point: 54.4 °C; (19)Enthalpy of Vaporization: 39.63 kJ/mol; (20)Boiling Point: 177 °C at 760 mmHg; (21)Vapour Pressure: 1.43 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC(C)C(Br)CC
(2) InChI: InChI=1/C5H10Br2/c1-3-5(7)4(2)6/h4-5H,3H2,1-2H3
(3) InChIKey: LWBRXRHBXMVUEX-UHFFFAOYAH

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