Basic Information | Post buying leads | Suppliers |
Name |
Aceticacid, 2-bromo-, 2,2-dimethylpentyl ester |
EINECS | N/A |
CAS No. | 5458-22-0 | Density | 1.223g/cm3 |
PSA | 26.30000 | LogP | 2.75080 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H17BrO2 | Boiling Point | 215.2 °C at 760 mmHg |
Molecular Weight | 237.1341 | Flash Point | 93.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aceticacid, bromo-, 2,2-dimethylpentyl ester (8CI);NSC23535; |
The Aceticacid, 2-bromo-, 2,2-dimethylpentyl ester, with CAS registry number 5458-22-0, has the systematic name of 2,2-dimethylpentyl bromoacetate. Besides this, it is also called 2,2-dimethylpentyl 2-bromoacetate. And the chemical formula of this chemical is C9H17BrO2.
Physical properties of Aceticacid, 2-bromo-, 2,2-dimethylpentyl ester: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.461; (8)Molar Refractivity: 53.21 cm3; (9)Molar Volume: 193.8 cm3; (10)Polarizability: 21.09×10-24cm3; (11)Surface Tension: 32.3 dyne/cm; (12)Density: 1.223 g/cm3; (13)Flash Point: 93.5 °C; (14)Enthalpy of Vaporization: 45.15 kJ/mol; (15)Boiling Point: 215.2 °C at 760 mmHg; (16)Vapour Pressure: 0.15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)OCC(CCC)(C)C
(2)InChI: InChI=1/C9H17BrO2/c1-4-5-9(2,3)7-12-8(11)6-10/h4-7H2,1-3H3
(3)InChIKey: GVGCMOPMQGVNLP-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H17BrO2/c1-4-5-9(2,3)7-12-8(11)6-10/h4-7H2,1-3H3
(5)Std. InChIKey: GVGCMOPMQGVNLP-UHFFFAOYSA-N