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91182-58-0

91182-58-0 Structure

91182-58-0 Structure
IdentificationBack Directory
[Name]

3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid
[CAS]

91182-58-0
[Synonyms]

3-(4-bromophenyl)-5-methyl-4-Isoxazolecarboxylicacid
3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid
4-Isoxazolecarboxylic acid, 3-(4-broMophenyl)-5-Methyl-
3-(4-Bromophenyl)-5-methylisoxazole-4-carboxylic acid 97%
[Molecular Formula]

C11H8BrNO3
[MDL Number]

MFCD07376078
[MOL File]

91182-58-0.mol
[Molecular Weight]

282.09
Chemical PropertiesBack Directory
[Melting point ]

216-218 °C
[Boiling point ]

411.4±40.0 °C(Predicted)
[density ]

1.605±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder
[pka]

2.18±0.25(Predicted)
[color ]

White
[InChI]

1S/C11H8BrNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
[InChIKey]

DTWRRPFCWHWFSM-UHFFFAOYSA-N
[SMILES]

Cc1onc(-c2ccc(Br)cc2)c1C(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

3
[HS Code ]

2934999090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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