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1126-00-7

1126-00-7 Structure

1126-00-7 Structure
IdentificationMore
[Name]

1-PHENYLPYRAZOLE
[CAS]

1126-00-7
[Synonyms]

1-PHENYL-1H-PYRAZOLE
1-PHENYLPYRAZOL
1-PHENYLPYRAZOLE
AKOS B030594
N-Phenylpyrazole
Pyrazole, 1-phenyl-
1H-Pyrazole, 1-phenyl-
1-Phenylpyrazole ,98%
2-Phenyl-2H-pyrazole
[EINECS(EC#)]

214-415-1
[Molecular Formula]

C9H8N2
[MDL Number]

MFCD00003112
[Molecular Weight]

144.17
[MOL File]

1126-00-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow to brown liquid
[Melting point ]

11°C(lit.)
[Boiling point ]

141-142 °C/30 mmHg (lit.)
[density ]

1.09
[refractive index ]

1.594-1.598
[Fp ]

109°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[pka]

0.16±0.10(Predicted)
[color ]

Colorless to Yellow
[Water Solubility ]

Soluble in water.
[λmax]

255nm(EtOH)(lit.)
[Detection Methods]

GC,NMR
[BRN ]

2594
[InChI]

1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
[InChIKey]

WITMXBRCQWOZPX-UHFFFAOYSA-N
[SMILES]

c1ccc(cc1)-n2cccn2
[CAS DataBase Reference]

1126-00-7(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-Pyrazole, 1-phenyl-(1126-00-7)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29339900
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Dichloromethane-->Phenylhydrazine-->1,1,3,3-Tetramethoxypropane
[Preparation Products]

2-(1H-Pyrazol-1-yl)benzylamine-->TAK-063-->4-(1H-Pyrazol-1-yl)benzenesulfonyl chloride-->1H-Pyrazole-5-ethanol, 1-phenyl-
Hazard InformationBack Directory
[Chemical Properties]

clear yellow to brown liquid
[Uses]

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
[Definition]

ChEBI: A member of the class of pyrazoles that is 1H-pyrazole substituted by a phenyl group at position 1.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

1-PHENYLPYRAZOLE(1126-00-7)1HNMR
1-PHENYLPYRAZOLE(1126-00-7)IR
1-PHENYLPYRAZOLE(1126-00-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Phenyl-1H-pyrazole, 98%(1126-00-7)
[Sigma Aldrich]

1126-00-7(sigmaaldrich)
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