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CAS No.: | 18368-64-4 |
---|---|
Name: | 2-Chloro-5-methylpyridine |
Article Data: | 49 |
Molecular Structure: | |
Formula: | C6H6ClN |
Molecular Weight: | 127.573 |
Synonyms: | 3-Picoline,6-chloro- (6CI,8CI);2-Chloro-5-picoline; |
EINECS: | 418-050-0 |
Density: | 1.15 g/cm3 |
Melting Point: | 97oC (30 MMHG) |
Boiling Point: | 190.8 °C at 760 mmHg |
Flash Point: | 86.3 °C |
Solubility: | Slightly soluble in water. |
Appearance: | clear light yellow to straw-yellow liquid |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 21/22-38-52/53-36/37/38 |
Safety: | 23-25-36/37-61-36-26 |
PSA: | 12.89000 |
LogP: | 2.04340 |
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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 (CAS NO.18368-64-4) is used as pharmaceutical intermediates.
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.
Hazard Codes: Xn, Xi
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 (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.