4-Bromo-2,5-dimethoxytoluene supplier

Name
4-BROMO-2,5-DIMETHOXYTOLUENE
EINECS
CAS No. 13321-74-9
Article Data14
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point 77-78 °C
Formula C₉H₁₁BrO₂
Boiling Point 270.408 °C at 760 mmHg
Molecular Weight 231.089
Flash Point 114.151 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
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;
PSA 18.46000
LogP 2.77470

4-Bromo-2,5-dimethoxytoluene 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

Product Name

4-BROMO-2,5-DIMETHOXYTOLUENE

4-Bromo-2,5-dimethoxytoluene Specification

Related Products

Hot Products