1-Bromo-2-methoxy-4-methylbenzene supplier

Name
4-BROMO-3-METHOXYPHENYL-P-TOLUENESULFONATE
EINECS
CAS No. 95740-49-1
Article Data11
CAS DataBase
Density 1.378 g/cm³
Solubility
Melting Point 104-105℃
Formula C₈H₉BrO
Boiling Point 231.994 °C at 760 mmHg
Molecular Weight 201.063
Flash Point 104.227 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-5-methylanisole;4-Bromo-3-methoxytoluene;6-Bromo-3-methylanisole;
PSA 9.23000
LogP 2.76610

1-Bromo-2-methoxy-4-methylbenzene Specification

The 1-Bromo-2-methoxy-4-methylbenzene, with the CAS registry number 95740-49-1, is also known as 2-Bromo-5-methylanisole. This chemical's molecular formula is C₈H₉BrO and molecular weight is 201.06. What's more, its systematic name is 1-Bromo-2-methoxy-4-methylbenzene.

Physical properties of 1-Bromo-2-methoxy-4-methylbenzene are: (1)ACD/LogP: 3.165; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 149.88; (6)ACD/BCF (pH 7.4): 149.88; (7)ACD/KOC (pH 5.5): 1256.04; (8)ACD/KOC (pH 7.4): 1256.04; (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: 45.446 cm³; (15)Molar Volume: 145.896 cm³; (16)Polarizability: 18.016×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.378 g/cm³; (19)Flash Point: 104.227 °C; (20)Enthalpy of Vaporization: 44.964 kJ/mol; (21)Boiling Point: 231.994 °C at 760 mmHg; (22)Vapour Pressure: 0.09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1OC)C
(2)Std. InChI: InChI=1S/C8H9BrO/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1-2H3
(3)Std. InChIKey: OERVAQHUJAFULZ-UHFFFAOYSA-N

Product Name

4-BROMO-3-METHOXYPHENYL-P-TOLUENESULFONATE

1-Bromo-2-methoxy-4-methylbenzene Specification

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