278289
1-Phenylpyrazole
97%
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About This Item
Empirical Formula (Hill Notation):
C9H8N2
CAS Number:
Molecular Weight:
144.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
214-415-1
MDL number:
Assay:
97%
Form:
liquid
Quality Segment
assay
97%
form
liquid
refractive index
n20/D 1.596 (lit.)
bp
141-142 °C/30 mmHg (lit.)
density
1.091 g/mL at 25 °C (lit.)
SMILES string
c1ccc(cc1)-n2cccn2
InChI
1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
InChI key
WITMXBRCQWOZPX-UHFFFAOYSA-N
General description
1-Phenylpyrazole undergoes cyclometallation with rhodium trichloride to yield rac-di(μ-chloro)tetrakis[2-(pyrazol-1-yl)phenyl-C1,N2′]dirhodium. The activation of the C-H bond of 1-phenylpyrazole autocatalyzed by the co-product HOAc was studied.
Application
1-Phenylpyrazole has been used:
- in the preparation of 4,5-diphenylpyrazolo[1,5-a]quinoline, 1-(1,2,3,4-tetraphenylnaphthalen-5-yl)pyrazole and 1-(1,2,3,4,5,6,7,8-octaphenylanthracen-9-yl)pyrazole
- as cyclometallated ligand in the preparation of new heteroleptic iridium(III) complexes
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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