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| CAS No.: | 27060-75-9 |
|---|---|
| Name: | 2-Bromo-5-methoxytoluene |
| Article Data: | 53 |
| Molecular Structure: | |
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| Formula: | C8H9OBr |
| Molecular Weight: | 201.063 |
| Synonyms: | Anisole,4-bromo-3-methyl- (6CI,8CI);1-Bromo-2-methyl-4-methoxybenzene;1-Bromo-4-methoxy-2-methylbenzene;2-Bromo-5-methoxytoluene;3-Methyl-4-bromoanisole;4-Bromo-3-methylanisole; |
| Density: | 1.378 g/cm3 |
| Melting Point: | 16.5 °C |
| Boiling Point: | 235.3 °C at 760 mmHg |
| Flash Point: | 105.3 °C |
| Appearance: | colorless to light yellow liquid |
| Hazard Symbols: |
 Xi
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| Safety: | 24/25 |
| PSA: | 9.23000 |
| LogP: | 2.76610 |
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Specification
The Benzene,1-bromo-4-methoxy-2-methyl-, with CAS registry number 27060-75-9, belongs to the following product categories: (1)Aromatic Hydrocarbons (substituted) & Derivatives; (2)Halogen toluene; (3)Anisoles, Alkyloxy Compounds & Phenylacetates; (4)Bromine Compounds. It has the systematic name of 1-bromo-4-methoxy-2-methylbenzene. When use this chemical, avoid contact with skin and eyes.
Physical properties of Benzene,1-bromo-4-methoxy-2-methyl-: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 335.23; (6)ACD/BCF (pH 7.4): 335.23; (7)ACD/KOC (pH 5.5): 2234.82; (8)ACD/KOC (pH 7.4): 2234.82; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 45.44 cm3; (15)Molar Volume: 145.8 cm3; (16)Polarizability: 18.01×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Enthalpy of Vaporization: 45.29 kJ/mol; (19)Vapour Pressure: 0.0773 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-methoxy-3-methyl-benzene. This reaction will need reagents potassium bromide, oxone and solvents H2O, acetonitrile. The reaction temperature is 20 ℃. The yield is about 80%.
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Uses of Benzene,1-bromo-4-methoxy-2-methyl-: it can be used to produce 2-bromo-5-methoxybenzyl bromide. This reaction will need reagents NBS, (BzO)2 and solvent CH2Cl2. The yield is about 81%.
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You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(OC)cc1C
(2)InChI: InChI=1/C8H9BrO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3
(3)InChIKey: BLZNSXFQRKVFRP-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H9BrO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3
(5)Std. InChIKey: BLZNSXFQRKVFRP-UHFFFAOYSA-N