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Name |
Hexanoic acid, 2,3-dibromopropyl ester |
EINECS | N/A |
CAS No. | 6308-04-9 | Density | 1.524 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H16Br2O2 | Boiling Point | 323.9 °C at 760 mmHg |
Molecular Weight | 316.0301 | Flash Point | 149.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC43351; |
The CAS registry number of Hexanoic acid, 2,3-dibromopropyl ester is 6308-04-9. This chemical's molecular formula is C9H16Br2O2 and molecular weight is 316.0301. What's more, its systematic name is 2,3-Dibromopropyl hexanoate.
Physical properties about Hexanoic acid, 2,3-dibromopropyl ester are: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.499; (8)Molar Refractivity: 60.94 cm3; (9)Molar Volume: 207.3 cm3; (10)Polarizability: 24.15×10-24 cm3; (11)Surface Tension: 38.5 dyne/cm; (12)Density: 1.524 g/cm3; (13)Flash Point: 149.7 °C; (14)Enthalpy of Vaporization: 56.59 kJ/mol; (15)Boiling Point: 323.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000254 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(Br)COC(=O)CCCCC
(2)InChI: InChI=1/C9H16Br2O2/c1-2-3-4-5-9(12)13-7-8(11)6-10/h8H,2-7H2,1H3
(3)InChIKey: MHCMWLLEMJCJCZ-UHFFFAOYAD