ChemicalBook--->CAS DataBase List--->491-30-5

491-30-5

491-30-5 Structure

491-30-5 Structure
IdentificationMore
[Name]

Isocarbostyril
[CAS]

491-30-5
[Synonyms]

1(2H)-ISOQUINOLINONE
1(2H)-ISOQUINOLONE
1-HYDROXYISOQUINOLINE
1-ISOQUINOLINOL
ISOCARBOSTYRIL
ISOQUINOLIN-1(2H)-ONE
ISOQUINOLIN-1-OL
TIMTEC-BB SBB004122
1-ISOQUINOLINOL, MATRIX SUBSTANCE FOR MA LDI-MS
ISOCARBOSTYRIL(1-HYDROXYISOQUINOLINE)
1-hydroxyisoquinolin
1-Oxo-1,2-dihydroisoquinoline
2(1H)-Isoquinolinone
NSC 27273
RUBBER PRESERVATIVE RQ
1-Hydroxyisoquinoline(also Isocarbostyril)
hydroxyisoquinoline
1-HIQ, 1-Hydroxyisoquinoline, Isocarbostyril
1(2H)-Isoquinolinone, 1-Hydroxyisoquinoline, 1-Isoquinolinol
1,2-Dihydroisoquinoline-1-one
[EINECS(EC#)]

207-732-1
[Molecular Formula]

C9H7NO
[MDL Number]

MFCD00006899
[Molecular Weight]

145.16
[MOL File]

491-30-5.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow Solid
[Melting point ]

212-216 °C
[Boiling point ]

376.3±35.0 °C(Predicted)
[density ]

1.188±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly)
[form ]

Powder or Crystalline Powder
[pka]

13.62±0.20(Predicted)
[color ]

White to pale brown
[BRN ]

2954
[InChI]

InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
[InChIKey]

VDBNYAPERZTOOF-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(C=CC=C2)C=CN1
[CAS DataBase Reference]

491-30-5(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

N
[HS Code ]

29334900
Hazard InformationBack Directory
[Chemical Properties]

Yellow Solid
[Uses]

1-Hydroxyisoquinoline (cas# 491-30-5) is a compound useful in organic synthesis.
[Definition]

ChEBI: Isoquinolin-1(2H)-one is a member of isoquinolines.
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 27, p. 1419, 1990 DOI: 10.1002/jhet.5570270544
The Journal of Organic Chemistry, 21, p. 1337, 1956 DOI: 10.1021/jo01118a001
Synthesis, p. 791, 1983 DOI: 10.1055/s-1983-30513
Spectrum DetailBack Directory
[Spectrum Detail]

Isocarbostyril(491-30-5)MS
Isocarbostyril(491-30-5)1HNMR
Isocarbostyril(491-30-5)13CNMR
Isocarbostyril(491-30-5)IR1
Isocarbostyril(491-30-5)IR2
Isocarbostyril(491-30-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Hydroxyisoquinoline, 97%(491-30-5)
[Sigma Aldrich]

491-30-5(sigmaaldrich)
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