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Basic Information
CAS No.: 164513-39-7
Name: 5-BROMO-2-METHOXY-4-METHYLPYRIDINE
Article Data: 7
Molecular Structure:
Molecular Structure of 164513-39-7 (5-BROMO-2-METHOXY-4-METHYLPYRIDINE)
Formula: C7H8BrNO
Molecular Weight: 202.051
Synonyms: Lafutidine Pibutidine intermediate
Density: 1.452 g/cm3
Melting Point: 33-37 °C(lit.)
Boiling Point: 229.632 °C at 760 mmHg
Flash Point: 92.679 °C
Appearance: beige moist crystals
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 22.12000
LogP: 2.16110
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Chemistry

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

Safety Profile

Hazard Codes: IrritantXi
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

Specification

 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 .