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1006-67-3

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1006-67-3 Structure

1006-67-3 Structure
IdentificationBack Directory
[Name]

5-PHENYLISOXAZOLE
[CAS]

1006-67-3
[Synonyms]

5-PHENYLISOXAZOLE
BUTTPARK 81\09-55
Isoxazole, 5-phenyl-
5-Phenyl-1,2-oxazole
1-(Isoxazol-5-yl)benzene
[Molecular Formula]

C9H7NO
[MDL Number]

MFCD00090038
[MOL File]

1006-67-3.mol
[Molecular Weight]

145.16
Chemical PropertiesBack Directory
[Melting point ]

22°C(lit.)
[Boiling point ]

260°C(lit.)
[density ]

1.138 g/cm3(Temp: 24 °C)
[storage temp. ]

2-8°C
[form ]

powder to lump to clear liquid
[pka]

-3.02±0.50(Predicted)
[color ]

White or Colorless to Almost white or Almost colorless
[λmax]

260nm(EtOH)(lit.)
[InChI]

1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H
[InChIKey]

BXQDLEHCXQQSCH-UHFFFAOYSA-N
[SMILES]

c1ccc(cc1)-c2ccno2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22
[Hazard Note ]

Irritant
[HS Code ]

2934999090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 32, p. 3593, 1967 DOI: 10.1021/jo01286a065
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