Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 4-bromo-3-methoxybenzoate |
EINECS | N/A |
CAS No. | 17100-63-9 | Density | 1.462g/cm3 |
PSA | 35.53000 | LogP | 2.24430 |
Solubility | N/A | Melting Point |
58-61°C |
Formula | C9H9BrO3 | Boiling Point | 306.008 °C at 760 mmHg |
Molecular Weight | 245.073 | Flash Point | 138.869 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant/Keep Cold; | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
m-Anisicacid, 4-bromo-, methyl ester (8CI);4-Bromo-3-methoxybenzoic acid methyl ester;Methyl 4-bromo-3-(methyloxy)benzoate;Methyl 4-bromo-3-methoxybenzoate; |
Article Data | 21 |
The Benzoic acid,4-bromo-3-methoxy-, methyl ester, with CAS registry number 17100-63-9, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Carboxes. It has the systematic name of methyl 4-bromo-3-methoxybenzoate. This chemical should be kept cold. And the chemical formula of this chemical is C9H9BrO3.
Physical properties of Benzoic acid,4-bromo-3-methoxy-, methyl ester: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 59; (6)ACD/BCF (pH 7.4): 59; (7)ACD/KOC (pH 5.5): 646; (8)ACD/KOC (pH 7.4): 646; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 52.395 cm3; (15)Molar Volume: 167.513 cm3; (16)Polarizability: 20.771×10-24cm3; (17)Surface Tension: 39.251 dyne/cm; (18)Density: 1.463 g/cm3; (19)Flash Point: 138.869 °C; (20)Enthalpy of Vaporization: 54.649 kJ/mol; (21)Boiling Point: 306.008 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccc1Br)C(=O)OC
(2)InChI: InChI=1/C9H9BrO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
(3)InChIKey: XLKDKHRGIJWOSN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H9BrO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
(5)Std. InChIKey: XLKDKHRGIJWOSN-UHFFFAOYSA-N