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15803-02-8

15803-02-8 Structure

15803-02-8 Structure
IdentificationMore
[Name]

4-Bromo-1-methylpyrazole
[CAS]

15803-02-8
[Synonyms]

4-BROMO-1-METHYL-1H-PYRAZOLE
4-Bromo-1-methylpyrazole
1-Mehtyl-4-Bromo-1H-Pyrazole
1-Methyl-4-bromo-1H-pyrazole
[EINECS(EC#)]

605-126-5
[Molecular Formula]

C4H5BrN2
[MDL Number]

MFCD02179565
[Molecular Weight]

161
[MOL File]

15803-02-8.mol
Chemical PropertiesBack Directory
[Boiling point ]

185-188°C
[density ]

1.558
[refractive index ]

n20/D 1.531
[Fp ]

93°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[pka]

0.21±0.10(Predicted)
[color ]

Colorless to pale yellow
[InChI]

InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
[InChIKey]

IXJSDKIJPVSPKF-UHFFFAOYSA-N
[SMILES]

N1(C)C=C(Br)C=N1
[CAS DataBase Reference]

15803-02-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H315-H318-H335
[Precautionary statements ]

P280-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

Xi
[Risk Statements ]

R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
[RIDADR ]

UN1760
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29331990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Methylpyrazole-->4-Bromopyrazole-->Pyrazole
[Preparation Products]

1-Methyl-1H-pyrazole-4-boronic acid-->1-Methyl-1H-pyrazol-4-ylamine-->Boronic acid, B-(1-methyl-1H-pyrazol-4-yl)-, bis(1-methylethyl) ester-->4-bromo-1-methylpyrazole-3-carboxy acid-->1-Methyl-4-(tributylstannyl)-1H-pyrazole
Hazard InformationBack Directory
[Uses]

4-Bromo-1-methylpyrazole is a colourless or light yellow liquid at room temperature and pressure. It can be used as an intermediate in organic synthesis. It has good solubility in common organic solvents such as ethyl acetate, dichloromethane, dimethyl sulfoxide, and N, N-dimethylformamide but poor solubility in water.
[Synthesis]

The conventional synthesis method of 4-Bromo-1-methylpyrazole starts from methyl pyrazole and uses NBS to brominate the carbon atom at position 4 in pyrazole using water as a solvent to obtain the target product. This synthetic route is fast and simple, with high yield and convenient post-processing. It is worth noting that the boiling point of this compound is not high, and low-temperature concentration should be paid attention to during post-processing. In addition, there is also a synthetic method using liquid bromine and hydrobromic acid aqueous solution as bromination reagents.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromo-1-methylpyrazole(15803-02-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

15803-02-8(sigmaaldrich)
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