Basic information
- Name:
Benzene,[(2-bromoethoxy)methyl]-
- Superlist Name:
- Benzyl 2-bromoethyl ether
- CAS No.:
1462-37-9
- Molecular Structure:
![Molecular Structure of 1462-37-9 (Benzene,[(2-bromoethoxy)methyl]-)](http://www.lookchem.com/300w/2010/0619/1462-37-9.jpg)
- Formula:
- C9H11BrO
- Molecular Weight:
- 215.09
- Synonyms:
- Ether,benzyl 2-bromoethyl (7CI,8CI);1-(Benzyloxy)-2-bromoethane;1-[(2-Bromoethoxy)methyl]benzene;2-(Benzyloxy)-1-bromoethane;2-(Benzyloxy)ethyl bromide;2-Bromoethyl benzyl ether;2-Bromoethylphenylmethyl ether;[(2-Bromoethoxy)methyl]benzene;1-bromo-2-benzyloxyethane;
- Density:
- 1.358 g/cm3
- Boiling Point:
- 258.6 °C at 760 mmHg
- Flash Point:
- 111.7 °C
- Appearance:
- Clear colorless to pale yellow liquid
- Hazard Symbols:
Xn- Risk Codes:
- 22
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Specification
The Benzene,[(2-bromoethoxy)methyl]-, with CAS registry number 1462-37-9, belongs to the following product categories: (1)Protection & Derivatization Reagents (for Synthesis); (2)Synthetic Organic Chemistry; (3)Ethers; (4)Organic Building Blocks; (5)Oxygen Compounds. It has the systematic name of [(2-bromoethoxy)methyl]benzene. This chemical is a kind of clear colorless to pale yellow liquid. And this chemical is harmful if swallowed.
Physical properties of Benzene,[(2-bromoethoxy)methyl]-: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112.5; (6)ACD/BCF (pH 7.4): 112.5; (7)ACD/KOC (pH 5.5): 1022.91; (8)ACD/KOC (pH 7.4): 1022.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 49.91 cm3; (15)Molar Volume: 158.3 cm3; (16)Polarizability: 19.78×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 111.7 °C; (20)Enthalpy of Vaporization: 47.62 kJ/mol; (21)Boiling Point: 258.6 °C at 760 mmHg; (22)Vapour Pressure: 0.022 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-benzyloxy-ethanol. This reaction will need reagents NBS, PPh3 and solvent CH2Cl2. The reaction time is 13 hour(s) with reaction temperature of 20 ℃. The yield is about 89%.
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You can still convert the following datas into molecular structure:
(1)SMILES: BrCCOCc1ccccc1
(2)InChI: InChI=1/C9H11BrO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
(3)InChIKey: FWOHDAGPWDEWIB-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H11BrO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
(5)Std. InChIKey: FWOHDAGPWDEWIB-UHFFFAOYSA-N
