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104777-39-1

104777-39-1 Structure

104777-39-1 Structure
IdentificationMore
[Name]

2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE
[CAS]

104777-39-1
[Synonyms]

2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE
2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOLE-4-YL)ETHAN-1-ONE
4-(BROMOACETYL)-5-METHYL-3-PHENYLISOXASOLE
4-BROMOACETYL-5-METHYL-3-PHENYLISOXAZOLE
BUTTPARK 43\57-07
2-Bromo-1-(5-methyl-3-phenylisoxazole-4-yl)ethane-1-one
[Molecular Formula]

C12H10BrNO2
[MDL Number]

MFCD00173902
[Molecular Weight]

280.12
[MOL File]

104777-39-1.mol
Chemical PropertiesBack Directory
[Melting point ]

46 °C
[Boiling point ]

402.5±45.0 °C(Predicted)
[density ]

1.461±0.06 g/cm3(Predicted)
[Fp ]

>110°C
[form ]

powder
[pka]

-4.52±0.50(Predicted)
[InChI]

1S/C12H10BrNO2/c1-8-11(10(15)7-13)12(14-16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
[InChIKey]

QKOOGOQWNSWJFQ-UHFFFAOYSA-N
[SMILES]

Cc1onc(-c2ccccc2)c1C(=O)CBr
[CAS DataBase Reference]

104777-39-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2934999090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Bromo-1-(5-methyl-3-phenylisoxazol-4-yl)ethan-1-one(104777-39-1)
[Sigma Aldrich]

104777-39-1(sigmaaldrich)
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104777-39-1