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5-Chloro-8-hydroxyquinoline(CAS No. 130-16-5)

5-Chloro-8-hydroxyquinoline C9H6ClNO (cas 130-16-5) Molecular Structure

130-16-5 Structure

Identification and Related Records

【Name】
5-Chloro-8-hydroxyquinoline
【Iupac name】
5-chloroquinolin-8-ol
【CAS Registry number】
130-16-5
【Synonyms】
5-Chloro-8-quinolinol
cloxiquine
【EINECS(EC#)】
204-978-1
【Molecular Formula】
C9H6ClNO (Products with the same molecular formula)
【Molecular Weight】
179.6
【Inchi】
InChI=1/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
【InChIKey】
CTQMJYWDVABFRZ-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC2=C(C=CC(=C2N=C1)O)Cl
【MOL File】
130-16-5.mol

Chemical and Physical Properties

【Appearance】
light yellow crystals
【Density】
1.412 g/cm3
【Melting Point】
121-126℃
【Vapour】
2.46E-05mmHg at 25°C
【Refractive Index】
1.696
【Flash Point】
75 C
【Solubilities】
Slightly soluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29334990
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:179.60304 [g/mol]
Molecular Formula:C9H6ClNO
XLogP3:2.9
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:179.013792
MonoIsotopic Mass:179.013792
Topological Polar Surface Area:33.1
Heavy Atom Count:12
Formal Charge:0
Complexity:165
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 Donor 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 】
S24/25;S26;S36
【Transport】
25kgs

Supplier Location

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Telephone:0086-531-58773055
Raw materials

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