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Quinoline, 5-chloro-(CAS No. 635-27-8)

Quinoline, 5-chloro- C9H6ClN (cas 635-27-8) Molecular Structure

635-27-8 Structure

Identification and Related Records

【Name】
Quinoline, 5-chloro-
【Iupac name】
5-chloroquinoline
【CAS Registry number】
635-27-8
【Synonyms】
5-Chloroquinoline
【Molecular Formula】
C9H6 Cl N (Products with the same molecular formula)
【Molecular Weight】
163.6
【Inchi】
InChI=1/C9H6ClN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
【Canonical SMILES】
C1=CC2=C(C=CC=N2)C(=C1)Cl
【MOL File】
635-27-8.mol

Chemical and Physical Properties

【Density】
1.27g/cm3
【Melting Point】
28-32℃
【Boiling Point】
273°C at 760 mmHg
【Refractive Index】
1.652
【Flash Point】
145.2°C
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:163.60364 [g/mol]
Molecular Formula:C9H6ClN
XLogP3:3.3
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:163.018877
MonoIsotopic Mass:163.018877
Topological Polar Surface Area:12.9
Heavy Atom Count:11
Formal Charge:0
Complexity:138
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;S36
【Safety】

Hazard Codes of Quinoline, 5-chloro- (CAS NO.635-27-8): 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

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Raw materials

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