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Aceticacid, 2-bromo-, 2,2-dimethylpentyl ester CAS NO.5458-22-0
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- Product Details
Keywords
- Aceticacid, bromo-, 2,2-dimethylpentyl ester (8CI)
- NSC23535
- NSC23535
Quick Details
- ProName: Aceticacid, 2-bromo-, 2,2-dimethylpent...
- CasNo: 5458-22-0
- Application: The Aceticacid, 2-bromo-, 2,2-dimethyl...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: The Aceticacid, 2-bromo-, 2,2-dimethyl...
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Superiority
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
Details
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