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CAS No.: | 39503-51-0 |
---|---|
Name: | 5-Bromo-2-methylbenzenamine |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C10H11BrO4 |
Molecular Weight: | 275.099 |
Synonyms: | 2,4-Dimethoxy-5-bromobenzoicacid methyl ester;5-Bromo-2,4-dimethoxybenzoic acid methyl ester;Methyl 2,4-dimethoxy-5-bromobenzoate;Methyl 5-bromo-2,4-dimethoxybenzoate; |
Density: | 1.436g/cm3 |
Melting Point: | 117℃ |
Boiling Point: | 349.1 °C at 760 mmHg |
Flash Point: | 164.9 °C |
PSA: | 44.76000 |
LogP: | 2.25290 |
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The 5-Bromo-2-methylbenzenamine, with CAS registry number 39503-51-0, has the systematic name of methyl 5-bromo-2,4-dimethoxybenzoate. Besides this, it is also called 5-Bromo-2-methylbenzenamine. And the chemical formula of this chemical is C10H11BrO4.
Physical properties of 5-Bromo-2-methylbenzenamine: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.529; (8)Molar Refractivity: 59.07 cm3; (9)Molar Volume: 191.5 cm3; (10)Polarizability: 23.41×10-24cm3; (11)Surface Tension: 38.1 dyne/cm; (12)Density: 1.436 g/cm3; (13)Flash Point: 164.9 °C; (14)Enthalpy of Vaporization: 59.36 kJ/mol; (15)Boiling Point: 349.1 °C at 760 mmHg; (16)Vapour Pressure: 4.81E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(OC)cc1OC)C(=O)OC
(2)InChI: InChI=1/C10H11BrO4/c1-13-8-5-9(14-2)7(11)4-6(8)10(12)15-3/h4-5H,1-3H3
(3)InChIKey: VJROGSBBDLIEMZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H11BrO4/c1-13-8-5-9(14-2)7(11)4-6(8)10(12)15-3/h4-5H,1-3H3
(5)Std. InChIKey: VJROGSBBDLIEMZ-UHFFFAOYSA-N