5-Bromo-2-methoxynicotinic acid supplier

Name
5-BROMO-2-METHOXY-NICOTINIC ACID
EINECS
CAS No. 54916-66-4
Article Data4
CAS DataBase
Density 1.713 g/cm³
Solubility
Melting Point 156-158°C
Formula C₇H₆BrNO₃
Boiling Point 324.8 °C at 760 mmHg
Molecular Weight 232.034
Flash Point 150.2 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Bromo-2-methoxy-3-pyridinecarboxylicacid;5-Bromo-2-methoxynicotinic acid;
PSA 59.42000
LogP 1.55090

5-Bromo-2-methoxynicotinic acid Specification

The 5-Bromo-2-methoxynicotinic acid, with CAS registry number 54916-66-4, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Carboxes; (4)Pyridines; (5)Carboxylic Acids. It has the systematic name of 5-bromo-2-methoxypyridine-3-carboxylic acid. This chemical should be kept cold. And the chemical formula of this chemical is C₇H₆BrNO₃.

Physical properties of 5-Bromo-2-methoxynicotinic acid: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 59.42 Å²; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 45.64 cm³; (13)Molar Volume: 135.3 cm³; (14)Polarizability: 18.09×10^-24cm³; (15)Surface Tension: 56.2 dyne/cm; (16)Enthalpy of Vaporization: 59.84 kJ/mol; (17)Vapour Pressure: 9.81E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ncc(Br)cc1C(O)=O
(2)InChI: InChI=1/C7H6BrNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)
(3)InChIKey: SJLXURQPRRMPIV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H6BrNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)
(5)Std. InChIKey: SJLXURQPRRMPIV-UHFFFAOYSA-N

Product Name

5-BROMO-2-METHOXY-NICOTINIC ACID

5-Bromo-2-methoxynicotinic acid Specification

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