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Quinoline,2-chloro-3-methyl-(CAS No. 57876-69-4)

Quinoline,2-chloro-3-methyl- C10H8ClN (cas 57876-69-4) Molecular Structure

57876-69-4 Structure

Identification and Related Records

【Name】
Quinoline,2-chloro-3-methyl-
【Iupac name】
2-chloro-3-methylquinoline
【CAS Registry number】
57876-69-4
【Synonyms】
2-Chloro-3-methylquinoline
NSC 364026
【Molecular Formula】
C10H8 Cl N (Products with the same molecular formula)
【Molecular Weight】
177.63
【Inchi】
InChI=1/C10H8ClN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
【Canonical SMILES】
CC1=CC2=CC=CC=C2N=C1Cl
【MOL File】
57876-69-4.mol

Chemical and Physical Properties

【Density】
1.225g/cm3
【Melting Point】
83-84℃
【Boiling Point】
286.6°Cat760mmHg
【Refractive Index】
1.635
【Flash Point】
154.5°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

【Safety Statements 】
S24/25
【Safety】

Safety Information of 2-Chloro-3-methylquinoline (CAS NO.57876-69-4):
Safety Statements: 24/25  
S24/25:Avoid contact with skin and eyes.

Supplier Location

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