3-Pyridinecarboxylicacid, 4-amino-5-bromo- supplier

Name
4-AMINO-5-BROMO NICOTINIC ACID
EINECS
CAS No. 52834-08-9
Article Data5
CAS DataBase
Density 1.909 g/cm³
Solubility
Melting Point
Formula C₆H₅BrN₂O₂
Boiling Point 396.6 °C at 760 mmHg
Molecular Weight 217.022
Flash Point 193.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-5-bromo nicotinic acid;
PSA 76.21000
LogP 1.70570

3-Pyridinecarboxylicacid, 4-amino-5-bromo- Specification

The 3-Pyridinecarboxylicacid, 4-amino-5-bromo-, with the CAS registry number 52834-08-9, is also known as 4-Amino-5-bromo nicotinic acid. It belongs to the product category of Pyridine. This chemical's molecular formula is C₆H₅BrN₂O₂and molecular weight is 217.0201. What's more, its systematic name is called 4-Amino-5-bromopyridine-3-carboxylic acid.

Physical properties about 3-Pyridinecarboxylicacid, 4-amino-5-bromo- are: (1)ACD/LogP: 1.83; (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): 1.41; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 76.21 Å²; (11)Index of Refraction: 1.685; (12)Molar Refractivity: 43.2 cm³; (13)Molar Volume: 113.6 cm³; (14)Surface Tension: 79.9 dyne/cm; (15)Density: 1.909 g/cm³; (16)Flash Point: 193.7 °C; (17)Enthalpy of Vaporization: 68.23 kJ/mol; (18)Boiling Point: 396.6 °C at 760 mmHg; (19)Vapour Pressure: 5.3E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1c(cncc1Br)C(O)=O
(2) InChI: InChI=1/C6H5BrN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H2,8,9)(H,10,11)
(3) InChIKey: HMWXBQBQGAZHEU-UHFFFAOYAN

Product Name

4-AMINO-5-BROMO NICOTINIC ACID

3-Pyridinecarboxylicacid, 4-amino-5-bromo- Specification

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