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Name
5-BROMO-3-METHYL-2-PYRIDINECARBALDEHYDE
- EINECS 200-589-5
- CAS No. 376587-53-0
- Article Data7
- CAS DataBase
- Density 1.578 g/cm3
- Solubility
- Melting Point
- Formula C7H6BrNO
- Boiling Point 260.929 °C at 760 mmHg
- Molecular Weight 200.035
- Flash Point 111.606 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-Bromo-3-methyl-2-pyridinecarboxaldehyde;2-pyridinecarboxaldehyde, 5-bromo-3-methyl-;5-bromo-3-methylpicolinaldehyde;5-Bromo-3-methylpyridine-2-carbaldehyde;5-Bromo-2-formyl-3-picoline;5-Bromo-3-methyl-2-pyridinecarbaldehyde;
- PSA 29.96000
- LogP 1.96500
2-Pyridinecarboxaldehyde,5-bromo-3-methyl- Specification
The 2-Pyridinecarboxaldehyde,5-bromo-3-methyl-, with the CAS registry number 376587-53-0, has the systematic name and IUPAC name of 5-bromo-3-methylpyridine-2-carbaldehyde. It belongs to the following product categories: Pyridine; Pharmacetical; Building Blocks. And the molecular formula of the chemical is C7H6BrNO.
The characteristics of 2-Pyridinecarboxaldehyde,5-bromo-3-methyl- are as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 23; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 324; (8)ACD/KOC (pH 7.4): 324; (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: 43.612 cm3; (15)Molar Volume: 126.783 cm3; (16)Polarizability: 17.289×10-24cm3; (17)Surface Tension: 48.524 dyne/cm; (18)Density: 1.578 g/cm3; (19)Flash Point: 111.606 °C; (20)Enthalpy of Vaporization: 49.864 kJ/mol; (21)Boiling Point: 260.929 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cc(Br)cnc1C=O
(2)InChI: InChI=1/C7H6BrNO/c1-5-2-6(8)3-9-7(5)4-10/h2-4H,1H3
(3)InChIKey: GLMJIYLGQMKLCL-UHFFFAOYAE
Related Products
- 2-Pyridinecarboxaldehyde
- 2-Pyridinecarboxaldehyde, 4-methoxy-3,5-dimethyl-
- 2-Pyridinecarboxaldehyde, 5,6-dimethoxy-
- 2-Pyridinecarboxaldehyde,3-(trifluoromethyl)-
- 2-Pyridinecarboxaldehyde,3-amino-
- 2-Pyridinecarboxaldehyde,3-chloro-4-methyl-
- 2-Pyridinecarboxaldehyde,3-fluoro-4-methyl-
- 2-Pyridinecarboxaldehyde,3-hydroxy-6-methyl-
- 2-Pyridinecarboxaldehyde,3-nitro-
- 2-Pyridinecarboxaldehyde,4-methoxy-
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