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8-Quinolinol, 5-bromo-(CAS No. 1198-14-7)

8-Quinolinol, 5-bromo- C9H6BrNO (cas 1198-14-7) Molecular Structure

1198-14-7 Structure

Identification and Related Records

【Name】
8-Quinolinol, 5-bromo-
【Iupac name】
5-bromoquinolin-8-ol
【CAS Registry number】
1198-14-7
【Synonyms】
5-Bromo-8-hydroxyquinoline
5-Bromo-8-quinolinol
NSC 74941
【EINECS(EC#)】
214-829-2
【Molecular Formula】
C9H6BrNO (Products with the same molecular formula)
【Molecular Weight】
224.05
【Inchi】
InChI=1/C9H6BrNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
【Canonical SMILES】
C1=CC2=C(C=CC(=C2N=C1)O)Br
【MOL File】
1198-14-7.mol

Chemical and Physical Properties

【Density】
1.705g/cm3
【Melting Point】
127 °C
【Boiling Point】
362.7°Cat760mmHg
【Vapour】
9.07E-06mmHg at 25°C
【Refractive Index】
1.717
【Flash Point】
173.2°C
【Computed Properties】
Molecular Weight:224.05404 [g/mol]
Molecular Formula:C9H6BrNO
XLogP3:2.9
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:222.963276
MonoIsotopic Mass:222.963276
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 Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Safety】

RTECS: VC4582000

【Specification】

 8-Quinolinol, 5-bromo- , its cas register number is 1198-14-7. It also can be called 5-21-03-00288 (Beilstein Handbook Reference) ; 5-Bromo-8-hydroxyquinoline ; 5-Bromo-8-oxyquinoline ; 5-Bromo-8-quinolinol ; BRN 0129563 ; EINECS 214-829-2 ; NSC 74941 ; 5-Bromoquinolin-8-ol .

Supplier Location

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