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| CAS No.: | 52711-30-5 |
|---|---|
| Name: | 1-Bromobenzyl methyl ether |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C8H9BrO |
| Molecular Weight: | 201.063 |
| Synonyms: | 2-Bromobenzyl Methyl Ether; |
| Density: | 1.388g/cm3 |
| Boiling Point: | 213 °C at 760 mmHg |
| Flash Point: | 84 °C |
| Appearance: | clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22 |
| PSA: | 9.23000 |
| LogP: | 2.59550 |
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Specification
The Benzene,1-bromo-2-(methoxymethyl)-, with the CAS registry number 52711-30-5, is also known as 2-Bromobenzyl Methyl Ether. It belongs to the product categories of Blocks; Bromides; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds. This chemical's molecular formula is C8H9BrO and molecular weight is 201.0605. What's more, its systematic name is called 1-Bromo-2-(methoxymethyl)benzene. Its appearance is clear colorless to slightly yellow liquid. When you are dealing with this chemical, you should be very careful. This chemical is irritating to the skin or other mucous membranes.
Physical properties about Benzene,1-bromo-2-(methoxymethyl)- are: (1)ACD/LogP: 2.73; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 69.83; (6)ACD/BCF (pH 7.4): 69.83; (7)ACD/KOC (pH 5.5): 727.04; (8)ACD/KOC (pH 7.4): 727.04; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 45.23 cm3; (14)Molar Volume: 144.7 cm3; (15)Surface Tension: 35.7 dyne/cm; (16)Density: 1.388 g/cm3; (17)Flash Point: 84 °C; (18)Enthalpy of Vaporization: 43.1 kJ/mol; (19)Boiling Point: 213 °C at 760 mmHg; (20)Vapour Pressure: 0.244 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccccc1COC
(2) InChI: InChI=1/C8H9BrO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
(3) InChIKey: QFAZLCRHLRJNAW-UHFFFAOYAI