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| CAS No.: | 13321-74-9 |
|---|---|
| Name: | 4-BROMO-2,5-DIMETHOXYTOLUENE |
| Article Data: | 14 |
| Molecular Structure: | |
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|
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| Formula: | C9H11BrO2 |
| Molecular Weight: | 231.089 |
| Synonyms: | Toluene,4-bromo-2,5-dimethoxy- (6CI,7CI,8CI);1-Bromo-2,5-dimethoxy-4-methylbenzene;2-Bromo-5-methyl-1,4-dimethoxybenzene;4-Methyl-2,5-dimethoxybromobenzene; |
| Density: | 1.36 g/cm3 |
| Melting Point: | 77-78 °C |
| Boiling Point: | 270.408 °C at 760 mmHg |
| Flash Point: | 114.151 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 18.46000 |
| LogP: | 2.77470 |
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- Total:26 Page 1 of 1 1
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Specification
The Benzene,1-bromo-2,5-dimethoxy-4-methyl-, with CAS registry number 13321-74-9, belongs to the following product category: Aromatic Hydrocarbons (substituted) & Derivatives. It has the systematic name of 1-bromo-2,5-dimethoxy-4-methylbenzene. And the chemical formula of this chemical is C9H11BrO2.
Physical properties of Benzene,1-bromo-2,5-dimethoxy-4-methyl-: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 174.03; (6)ACD/BCF (pH 7.4): 174.03; (7)ACD/KOC (pH 5.5): 1397.79; (8)ACD/KOC (pH 7.4): 1397.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 52.12 cm3; (15)Molar Volume: 169.8 cm3; (16)Polarizability: 20.66×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 114.1 °C; (20)Enthalpy of Vaporization: 48.81 kJ/mol; (21)Boiling Point: 270.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0114 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(OC)c(cc1OC)C
(2)InChI: InChI=1/C9H11BrO2/c1-6-4-9(12-3)7(10)5-8(6)11-2/h4-5H,1-3H3
(3)InChIKey: YDRBZEYUYXQONG-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H11BrO2/c1-6-4-9(12-3)7(10)5-8(6)11-2/h4-5H,1-3H3
(5)Std. InChIKey: YDRBZEYUYXQONG-UHFFFAOYSA-N