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7-Hydroxyquinoline(CAS No. 580-20-1)

7-Hydroxyquinoline C9H7NO (cas 580-20-1) Molecular Structure

580-20-1 Structure

Identification and Related Records

【Name】
7-Hydroxyquinoline
【Iupac name】
1H-quinolin-7-one
【CAS Registry number】
580-20-1
【Synonyms】
NSC 87630
Quinolin-7-ol
【EINECS(EC#)】
209-457-2
【Molecular Formula】
C9H7NO (Products with the same molecular formula)
【Molecular Weight】
145.16
【Inchi】
InChI=1/C9H7NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h1-6,11H
【Canonical SMILES】
C1=CNC2=CC(=O)C=CC2=C1
【MOL File】
580-20-1.mol

Chemical and Physical Properties

【Appearance】
white to light yellow crystal powder
【Density】
1.26 g/cm3
【Melting Point】
239-244℃
【Boiling Point】
313 oC at 760 mmHg
【Refractive Index】
1.642
【Flash Point】
143.1 oC
【Solubilities】
Slightly soluble
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Store in a cool, dry place. Keep container closed when not in use.
【Computed Properties】
Molecular Weight:145.15798 [g/mol]
Molecular Formula:C9H7NO
XLogP3-AA:1
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:4
Exact Mass:145.052764
MonoIsotopic Mass:145.052764
Topological Polar Surface Area:29.1
Heavy Atom Count:11
Formal Charge:0
Complexity:319
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 Cation 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】
Xn:Harmful
【Risk Statements】
R20/21/22;R36/37/38
【Safety Statements 】
S26;S36/37/39
【HazardClass】
IRRITANT

Supplier Location

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Diamond member Shanghai Do Chemical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
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Telephone:86-27-87465837
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Telephone:86-21-61723543

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