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Quinoline,2-chloro-4-methyl-(CAS No. 634-47-9)

Quinoline,2-chloro-4-methyl- C10H8ClN (cas 634-47-9) Molecular Structure

634-47-9 Structure

Identification and Related Records

【Name】
Quinoline,2-chloro-4-methyl-
【Iupac name】
2-chloro-4-methylquinoline
【CAS Registry number】
634-47-9
【Synonyms】
Lepidine,2-chloro- (6CI,7CI,8CI)
2-Chloro-4-methylquinoline
2-Chlorolepidine
NSC96476
【EINECS(EC#)】
211-209-3
【Molecular Formula】
C10H8ClN (Products with the same molecular formula)
【Molecular Weight】
177.63
【Inchi】
InChI=1/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
【Canonical SMILES】
CC1=CC(=NC2=CC=CC=C12)Cl
【MOL File】
634-47-9.mol

Chemical and Physical Properties

【Appearance】
white to light yellow crystal powder
【Density】
1.225g/cm3
【Melting Point】
55-58℃
【Boiling Point】
296℃
【Refractive Index】
1.634
【Flash Point】
296°C
【Computed Properties】
Molecular Weight:177.63022 [g/mol]
Molecular Formula:C10H8ClN
XLogP3-AA:3.5
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:177.034527
MonoIsotopic Mass:177.034527
Topological Polar Surface Area:12.9
Heavy Atom Count:12
Formal Charge:0
Complexity:160
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【Safety】

Hazard Codes of Quinoline,2-chloro-4-methyl- (CAS NO.634-47-9): IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39: Wear suitable gloves and eye/face protection. 
S36: Wear suitable protective clothing.
WGK Germany: 3

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