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CAS No.: | 3245-45-2 |
---|---|
Name: | 1-(2-BROMOETHOXY)-3-METHOXYBENZENE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C9H11BrO2 |
Molecular Weight: | 231.089 |
Synonyms: | 1-Bromo-2-(3-methoxyphenoxy)ethane; |
Density: | 1.38 g/cm3 |
Boiling Point: | 289.9 °C at 760 mmHg |
Flash Point: | 128.3 °C |
Hazard Symbols: | Xi |
PSA: | 18.46000 |
LogP: | 2.46890 |
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This chemical is called Benzene,1-(2-bromoethoxy)-3-methoxy-, and its systematic name is 1-(2-bromoethoxy)-3-methoxybenzene. With the molecular formula of C9H11BrO2, its molecular weight is 231.09. The CAS registry number of this chemical is 3245-45-2.
Other characteristics of the Benzene,1-(2-bromoethoxy)-3-methoxy- can be summarised as followings: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.71; (6)ACD/BCF (pH 7.4): 65.71; (7)ACD/KOC (pH 5.5): 696.13; (8)ACD/KOC (pH 7.4): 696.13; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 51.97 cm3; (15)Molar Volume: 167.1 cm3; (16)Polarizability: 20.6×10-24 cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 128.3 °C; (20)Enthalpy of Vaporization: 50.8 kJ/mol; (21)Boiling Point: 289.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00373 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating, so you should be careful when you use it.
You can still convert the following datas into molecular structure:
1.SMILES: BrCCOc1cccc(OC)c1
2.InChI: InChI=1/C9H11BrO2/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,5-6H2,1H3
3.InChIKey: BTUZRSNUNBPIEN-UHFFFAOYAK
4.Std. InChI: InChI=1S/C9H11BrO2/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,5-6H2,1H3
5.Std. InChIKey: BTUZRSNUNBPIEN-UHFFFAOYSA-N