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6-chloroquinoline(CAS No. 612-57-7)

6-chloroquinoline C9H6ClN (cas 612-57-7) Molecular Structure

612-57-7 Structure

Identification and Related Records

【Name】
6-chloroquinoline
【Iupac name】
6-chloroquinoline
【CAS Registry number】
612-57-7
【Synonyms】
AKOS 100
6-chloro-quinolin
6-Chloroquinoline,99%
【EINECS(EC#)】
210-314-1
【Molecular Formula】
C9H6ClN (Products with the same molecular formula)
【Molecular Weight】
163.6
【Inchi】
InChI=1/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
【Canonical SMILES】
C1=CC2=C(C=CC(=C2)Cl)N=C1
【MOL File】
612-57-7.mol

Chemical and Physical Properties

【Appearance】
light yellow crystals
【Density】
1.27 g/cm3
【Melting Point】
41-43℃
【Boiling Point】
126-127℃ (10 mmHg)
【Refractive Index】
1.652
【Flash Point】
113℃
【Computed Properties】
Molecular Weight:163.60364 [g/mol]
Molecular Formula:C9H6ClN
XLogP3:2.7
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;S37/39
【Transport】
25kgs

Supplier Location

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Diamond member Wuhan Fortuna Chemical Co., Ltd.
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