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| CAS No.: | 882499-87-8 |
|---|---|
| Name: | METHYL 2-AMINO-5-BROMO-4-PYRIDINECARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C7H7BrN2O2 |
| Molecular Weight: | 231.049 |
| Synonyms: | 2-Amino-5-bromoisonicotinicacid methyl ester; |
| EINECS: | 663-515-5 |
| Density: | 1.662 g/cm3 |
| Boiling Point: | 311.5 °C at 760 mmHg |
| Flash Point: | 142.2 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 65.21000 |
| LogP: | 1.79410 |
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Specification
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