Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 2-amino-5-bromoisonicotinate |
EINECS | 663-515-5 |
CAS No. | 882499-87-8 | Density | 1.662 g/cm3 |
PSA | 65.21000 | LogP | 1.79410 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H7BrN2O2 | Boiling Point | 311.5 °C at 760 mmHg |
Molecular Weight | 231.049 | Flash Point | 142.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Amino-5-bromoisonicotinicacid methyl ester; |
Article Data | 3 |
The Methyl 2-amino-5-bromoisonicotinate, with its CAS registry number 882499-87-8, has the systematic name of methyl 2-amino-5-bromo-pyridine-4-carboxylate. And its product categories are inclding blocks; Bromides; Carboxes; Pyridines. When using this chemical, you should be careful, because it may cause inflammation to the skin or other mucous membranes.
The characteristics of Methyl 2-amino-5-bromoisonicotinate are as follows: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 65.21 ; (9)Index of Refraction: 1.607; (10)Molar Refractivity: 48.04 cm3; (11)Molar Volume: 139 cm3; (12)Polarizability: 19.04×10-24 cm3; (13)Surface Tension: 57.3 dyne/cm; (14)Density: 1.662 g/cm3; (15)Flash Point: 142.2 °C; (16)Enthalpy of Vaporization: 55.24 kJ/mol; (17)Boiling Point: 311.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000562 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:COC(=O)c1cc(ncc1Br)N
(2)InChI:InChI=1/C7H7BrN2O2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3,(H2,9,10)
(3)InChIKey:FJPDYKLTAURVRU-UHFFFAOYAE