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2-Chloro-5-methylpyridine

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Name

2-Chloro-5-methylpyridine

EINECS 418-050-0
CAS No. 18368-64-4 Density 1.15 g/cm3
PSA 12.89000 LogP 2.04340
Solubility Slightly soluble in water. Melting Point 97oC (30 MMHG)
Formula C6H6ClN Boiling Point 190.8 °C at 760 mmHg
Molecular Weight 127.573 Flash Point 86.3 °C
Transport Information N/A Appearance clear light yellow to straw-yellow liquid
Safety 23-25-36/37-61-36-26 Risk Codes 21/22-38-52/53-36/37/38
Molecular Structure Molecular Structure of 18368-64-4 (2-Chloro-5-methylpyridine) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

3-Picoline,6-chloro- (6CI,8CI);2-Chloro-5-picoline;

Article Data 49

2-Chloro-5-methylpyridine Chemical Properties

Molecule structure of 2-Chloro-5-methylpyridine (CAS NO.18368-64-4):

IUPAC Name: 2-Chloro-5-methylpyridine 
Molecular Weight: 127.57154 g/mol
Molecular Formula: C6H6ClN 
Density: 1.15 g/cm3 
Boiling Point: 190.8 °C at 760 mmHg
Flash Point: 86.3 °C
Index of Refraction: 1.526
Molar Refractivity: 34.06 cm3
Molar Volume: 110.8 cm3
Surface Tension: 37.7 dyne/cm 
Enthalpy of Vaporization: 40.96 kJ/mol 
Vapour Pressure: 0.736 mmHg at 25 °C
XLogP3: 2.3
H-Bond Acceptor: 1
Exact Mass: 127.018877
MonoIsotopic Mass: 127.018877
Topological Polar Surface Area: 12.9
Heavy Atom Count: 8
Canonical SMILES: CC1=CN=C(C=C1)Cl
InChI: InChI=1S/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKey: VXLYOURCUVQYLN-UHFFFAOYSA-N
EINECS: 418-050-0
Product Categories: Pyridine; Pyridines; Chloropyridines; Halopyridines; Boronic Acid; C6Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks

2-Chloro-5-methylpyridine Uses

 2-Chloro-5-methylpyridine (CAS NO.18368-64-4) is used as pharmaceutical intermediates.

2-Chloro-5-methylpyridine Production

  2-Chloro-5-methylpyridine with cas registry number of 18368-64-4 can be prepared in some ways. In one United States Patent, it is obtained by the process that 2-oxo-5-methyl-5,6-dihalopiperidine is contacted in a high boiling solvent, preferably trichlorobenzene, with a stoichiometric excess, up to 70 mole % excess, of a chlorinating agent, preferably phosphorus oxychloride or phosgene, at an elevated temperature between 80° and 130° C.

2-Chloro-5-methylpyridine Safety Profile

Hazard Codes: HarmfulXn, IrritantXi
Risk Statements: 21/22-38-52/53-36/37/38 
R21/22:Harmful in contact with skin and if swallowed. 
R38:Irritating to skin. 
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-25-36/37-61-36-26 
S23:Do not breathe vapour. 
S25:Avoid contact with eyes. 
S36/37:Wear suitable protective clothing and gloves. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 2
RTECS: US6740000

2-Chloro-5-methylpyridine Specification

 2-Chloro-5-methylpyridine (CAS NO.18368-64-4) is also named as 2-Chlor-5-methylpyridin ; 3-Picoline, 6-chloro- ; 6-Chloro-3-picoline ; Pyridine, 2-chloro-5-methyl- ; 6-Chloro-3-methylpyridine . It is clear light yellow to straw-yellow liquid.

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