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Name |
5-Bromo-2-methoxy-4-methylpyridine |
EINECS | N/A |
CAS No. | 164513-39-7 | Density | 1.452 g/cm3 |
PSA | 22.12000 | LogP | 2.16110 |
Solubility | N/A | Melting Point |
33-37 °C(lit.) |
Formula | C7H8BrNO | Boiling Point | 229.632 °C at 760 mmHg |
Molecular Weight | 202.051 | Flash Point | 92.679 °C |
Transport Information | N/A | Appearance | beige moist crystals |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Lafutidine Pibutidine intermediate |
Article Data | 7 |
Molecule structure of 5-Bromo-2-methoxy-4-methylpyridine (CAS NO.164513-39-7):
IUPAC Name: 5-Bromo-2-methoxy-4-methylpyridine
Molecular Weight: 202.04852 g/mol
Molecular Formula: C7H8BrNO
Density: 1.452 g/cm3
Melting Point: 33-37 °C(lit.)
Boiling Point: 229.632 °C at 760 mmHg
Flash Point: 92.679 °C
Index of Refraction: 1.538
Molar Refractivity: 43.538 cm3
Molar Volume: 139.119 cm3
Surface Tension: 38.363 dyne/cm
Enthalpy of Vaporization: 44.73 kJ/mol
Vapour Pressure: 0.104 mmHg at 25 °C
XLogP3-AA: 2.2
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 200.978926
MonoIsotopic Mass: 200.978926
Topological Polar Surface Area: 22.1
Heavy Atom Count: 10
Canonical SMILES: CC1=CC(=NC=C1Br)OC
InChI: InChI=1S/C7H8BrNO/c1-5-3-7(10-2)9-4-6(5)8/h3-4H,1-2H3
InChIKey: HTBPXLJKMNBQMS-UHFFFAOYSA-N
Product Categories of 5-Bromo-2-methoxy-4-methylpyridine (CAS NO.164513-39-7): Pyridine; Heterocyclic Compounds; Heterocycles; Boronic Acid; C7 and C8Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
HazardClass: IRRITANT
5-Bromo-2-methoxy-4-methylpyridine (CAS NO.164513-39-7) is also named as Pyridine, 5-bromo-2-methoxy-4-methyl- ; 5-Bromo-2-methoxy-4-picoline .