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56616-91-2

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56616-91-2 Structure

56616-91-2 Structure
IdentificationBack Directory
[Name]

3-bromo-1-methyl-1,2,4-triazole
[CAS]

56616-91-2
[Synonyms]

3-bromo-1-methyl-1
3-bromo-1-methyl-1,2,4-triazole
3-broMo-1-Methyl-1H-1,2,4-triazole
1H-1,2,4-Triazole, 3-bromo-1-methyl-
[Molecular Formula]

C3H4BrN3
[MDL Number]

MFCD11109755
[MOL File]

56616-91-2.mol
[Molecular Weight]

161.99
Chemical PropertiesBack Directory
[Boiling point ]

255.9±23.0 °C(Predicted)
[density ]

1.93±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

solid
[pka]

1.01±0.10(Predicted)
[Appearance]

White to off-white <30°C Solid,>30°C Liquid
[InChI]

InChI=1S/C3H4BrN3/c1-7-2-5-3(4)6-7/h2H,1H3
[InChIKey]

KWGLUDZPAMFWJZ-UHFFFAOYSA-N
[SMILES]

N1(C)C=NC(Br)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

3-Bromo-1-methyl-1H-1,2,4-triazole is a useful intermediate used in the preparation of substituted triazoles.
Spectrum DetailBack Directory
[Spectrum Detail]

3-bromo-1-methyl-1,2,4-triazole(56616-91-2)1HNMR
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