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19658-77-6

19658-77-6 Structure

19658-77-6 Structure
IdentificationBack Directory
[Name]

1-IODOISOQUINOLINE
[CAS]

19658-77-6
[Synonyms]

1-IODOISOQUINOLINE
1-Iodoisoquinoline>
Isoquinoline, 1-iodo-
[Molecular Formula]

C9H6IN
[MDL Number]

MFCD00234494
[MOL File]

19658-77-6.mol
[Molecular Weight]

255.06
Chemical PropertiesBack Directory
[Melting point ]

72-76℃
[Boiling point ]

336.8±15.0 °C(Predicted)
[density ]

1.837±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

2.27±0.30(Predicted)
[color ]

Light yellow to Yellow to Green
[InChI]

1S/C9H6IN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
[InChIKey]

FDDBUIWRNBGXHB-UHFFFAOYSA-N
[SMILES]

Ic1nccc2ccccc12
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-37/38-41
[Safety Statements ]

26-39
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[HS Code ]

2933.49.7000
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

1-IODOISOQUINOLINE(19658-77-6)1HNMR
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