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CAS No.: | 778611-64-6 |
---|---|
Name: | 5-BROMO-2-CHLORO-4-PICOLINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H5BrClN |
Molecular Weight: | 206.469 |
Synonyms: | 5-Bromo-2-chloro-4-picoline; |
EINECS: | -0 |
Density: | 1.624 g/cm3 |
Melting Point: | 25-30 °C |
Boiling Point: | 239.4 °C at 760 mmHg |
Flash Point: | 98.6 °C |
Appearance: | Clear pale yellow low melting solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 12.89000 |
LogP: | 2.80590 |
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The 5-Bromo-2-chloro-4-methylpyridine, with CAS registry number 778611-64-6, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Pyridines; (4)Pyridine series; (5)Boronic Acid; (6)Variety of halogenated heterocyclic series. It has the systematic name of 5-bromo-2-chloro-4-methylpyridine. This chemical is a kind of clear pale yellow low melting solid.
Physical properties of 5-Bromo-2-chloro-4-methylpyridine: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.99; (6)ACD/BCF (pH 7.4): 81.99; (7)ACD/KOC (pH 5.5): 815.63; (8)ACD/KOC (pH 7.4): 815.63; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 41.75 cm3; (15)Molar Volume: 127 cm3; (16)Polarizability: 16.55×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Enthalpy of Vaporization: 45.7 kJ/mol; (19)Vapour Pressure: 0.0621 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Bromo-2-chloro-4-methylpyridine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(Cl)cc1C
(2)InChI: InChI=1/C6H5BrClN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
(3)InChIKey: ISESOOISZHSENQ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H5BrClN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
(5)Std. InChIKey: ISESOOISZHSENQ-UHFFFAOYSA-N