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| CAS No.: | 853179-74-5 |
|---|---|
| Name: | 2-Bromo-6-methylpyridine-3-carboxaldehyde |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H6BrNO |
| Molecular Weight: | 200.035 |
| Synonyms: | 3-pyridinecarboxaldehyde, 2-bromo-6-methyl-; |
| Density: | 1.577g/cm3 |
| Melting Point: | 66℃ |
| Boiling Point: | 273.5 °C at 760 mmHg |
| Flash Point: | 119.2 °C |
| PSA: | 29.96000 |
| LogP: | 1.96500 |
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- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
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- Total:14 Page 1 of 1 1
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Specification
The 2-Bromo-6-methylpyridine-3-carboxaldehyde with cas registry number of 853179-74-5, has the systematic name of 2-bromo-6-methyl-pyridine-3-carbaldehyde. And it is also called 3-pyridinecarboxaldehyde, 2-bromo-6-methyl-.
Physical properties about this chemical are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.54; (6)ACD/BCF (pH 7.4): 15.54; (7)ACD/KOC (pH 5.5): 248.02; (8)ACD/KOC (pH 7.4): 248.02; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 43.61 cm3; (15)Molar Volume: 126.7 cm3; (16)Polarizability: 17.28×10-24cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Enthalpy of Vaporization: 51.19 kJ/mol; (19)Vapour Pressure: 0.0057 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(c(n1)Br)C=O
(2)InChI: InChI=1/C7H6BrNO/c1-5-2-3-6(4-10)7(8)9-5/h2-4H,1H3
(3)InChIKey: MQSSRBWNPRWQRS-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H6BrNO/c1-5-2-3-6(4-10)7(8)9-5/h2-4H,1H3
(5)Std. InChIKey: MQSSRBWNPRWQRS-UHFFFAOYSA-N