ChemicalBook--->CAS DataBase List--->37993-76-3

37993-76-3

37993-76-3 Structure

37993-76-3 Structure
IdentificationBack Directory
[Name]

3-PHENYLISOQUINOLINE
[CAS]

37993-76-3
[Synonyms]

3-PHENYLISOQUINOLINE
Isoquinoline, 3-phenyl-
3-Phenylisoquinoline 97%
3-PHENYLISOQUINOLINE ISO 9001:2015 REACH
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C15H11N
[MDL Number]

MFCD00179548
[MOL File]

37993-76-3.mol
[Molecular Weight]

205.25
Chemical PropertiesBack Directory
[Melting point ]

100-105°C
[Boiling point ]

361.2±11.0 °C(Predicted)
[density ]

1.127±0.06 g/cm3(Predicted)
[form ]

powder or crystals
[pka]

4.52±0.30(Predicted)
[InChI]

1S/C15H11N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-11H
[InChIKey]

RBJOTRVJJWIIER-UHFFFAOYSA-N
[SMILES]

c1ccc(cc1)-c2cc3ccccc3cn2
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

22-24-38-41
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[Storage Class]

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

Acute Tox. 3 Dermal
Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
Hazard InformationBack Directory
[Uses]

This material can be used as a ligand to synthesize a variety of OLED dopants.
[Synthesis Reference(s)]

Tetrahedron Letters, 13, p. 3149, 1972 DOI: 10.1016/S0040-4039(01)93988-7
[General Description]

3-phenylisoquinoline can be prepared by the Bradsher procedure. It is an important component in the essential oils obtained from Ageratum conyzoides. 2
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