-
Name
2,5-Dimethoxybenzylbromide
- EINECS
- CAS No. 60732-17-4
- Article Data37
- CAS DataBase
- Density 1.384 g/cm3
- Solubility
- Melting Point
- Formula C9H11BrO2
- Boiling Point 281.8 °C at 760 mmHg
- Molecular Weight 231.089
- Flash Point 122.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Toluene, a-bromo-2,5-dimethoxy- (6CI);2,5-Dimethoxybenzyl bromide;2-(Bromomethyl)-1,4-dimethoxybenzene;a-Bromo-2,5-dimethoxytoluene;
- PSA 18.46000
- LogP 2.59870
Benzene,2-(bromomethyl)-1,4-dimethoxy- Specification
The Benzene,2-(bromomethyl)-1,4-dimethoxy-, with CAS registry number 60732-17-4, has the systematic name of 2-(bromomethyl)-1,4-dimethoxybenzene. Besides this, it is also called 2,5-Dimethoxybenzylbromide. And the chemical formula of this chemical is C9H11BrO2.
Physical properties of Benzene,2-(bromomethyl)-1,4-dimethoxy-: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 79.03; (6)ACD/BCF (pH 7.4): 79.03; (7)ACD/KOC (pH 5.5): 794.46; (8)ACD/KOC (pH 7.4): 794.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 52.25 cm3; (15)Molar Volume: 166.9 cm3; (16)Polarizability: 20.71×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.384 g/cm3; (19)Flash Point: 122.4 °C; (20)Enthalpy of Vaporization: 49.97 kJ/mol; (21)Boiling Point: 281.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00596 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cc(OC)ccc1OC
(2)InChI: InChI=1/C9H11BrO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,6H2,1-2H3
(3)InChIKey: CZDKYDOSKNCXSM-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H11BrO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,6H2,1-2H3
(5)Std. InChIKey: CZDKYDOSKNCXSM-UHFFFAOYSA-N
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