Basic Information | Post buying leads | Suppliers |
Name |
2,5-Dibromonicotinic acid |
EINECS | N/A |
CAS No. | 29312-99-0 | Density | 2.202 g/cm3 |
PSA | 50.19000 | LogP | 2.30480 |
Solubility | N/A | Melting Point |
184 °C |
Formula | C6H3Br2NO2 | Boiling Point | 367.1 °C at 760 mmHg |
Molecular Weight | 280.903 | Flash Point | 175.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Nicotinicacid, 2,5-dibromo- (8CI);2,5-Dibromonicotinic acid; |
This chemical is called 2,5-Dibromonicotinic acid, and its systematic name is 2,5-dibromopyridine-3-carboxylic acid. With the molecular formula of C6H3Br2NO2, its molecular weight is 280.90. The CAS registry number of this chemical is 29312-99-0.
Other characteristics of the 2,5-Dibromonicotinic acid can be summarised as followings: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.52; (4)ACD/LogD (pH 7.4): -1.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 46.65 cm3; (15)Molar Volume: 127.5 cm3; (16)Polarizability: 18.49×10-24cm 3; (17)Surface Tension: 66.7 dyne/cm; (18)Density: 2.202 g/cm3; (19)Flash Point: 175.8 °C; (20)Enthalpy of Vaporization: 64.74 kJ/mol; (21)Boiling Point: 367.1 °C at 760 mmHg; (22)Vapour Pressure: 4.9E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(Br)cnc1Br
(2)InChI: InChI=1/C6H3Br2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
(3)InChIKey: BRPWRSWAXHWEPS-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H3Br2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
(5)Std. InChIKey: BRPWRSWAXHWEPS-UHFFFAOYSA-N