4-Bromo-3,5-dimethylpyrazole
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4-Bromo-3,5-dimethylpyrazole
structure -
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CAS No:
3398-16-1
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Formula:
C5H7BrN2
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Chemical Name:
4-Bromo-3,5-dimethylpyrazole
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Synonyms:
1H-Pyrazole,4-bromo-3,5-dimethyl-;Pyrazole,4-bromo-3,5-dimethyl-;4-Bromo-3,5-dimethyl-1H-pyrazole;GF 12;3,5-Dimethyl-4-bromopyrazole;4-Bromo-3,5-dimethylpyrazole;NSC 50564
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CAS No:
4-Bromo-3,5-dimethylpyrazole Basic Attributes
175.03
175.03
222-263-2
50564
DTXSID40187586
2933199090
Characteristics
28.7
1.7
pale white or light yellow crystal powder
1.6±0.1 g/cm3
118 °C
341°C at 760 mmHg
116.5±25.9 °C
1.572
LD50 intraperitoneal in mouse: 580mg/kg
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S37/39
UQ6210000
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-3,5-dimethylpyrazole Use and Manufacturing
General procedure: 1-benzyl-4-chloro-3, 5-dimethyl-1H-pyrazole. To a 16 mL vial containing 1-benzyl-3, 5-dimethyl-1H-pyrazole (196 mg, 1.05 mmol) and a magnetic stir bar, 0.7 mL of water and 0.3 mL of ethyl acetate was added. Next, NaCl (123 mg, 2 mmol) was added and the vial was placed in a room temperature water bath to control exotherms. Finally, Oxone (322 mg, 0.52 mmol or 1.05 mmol KHSO
Computed Properties
Molecular Weight:175.03
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:173.97926
Monoisotopic Mass:173.97926
Topological Polar Surface Area:28.7
Heavy Atom Count:8
Complexity:86.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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