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4-bromo-1-tert-butyl-1H-pyrazole

Product Name
4-bromo-1-tert-butyl-1H-pyrazole
CAS No.
70951-85-8
Chemical Name
4-bromo-1-tert-butyl-1H-pyrazole
Synonyms
4-Bromo-1-t-butylpyrazole;4-Bromo-1-tert-butylpyrazole;1-tert-Butyl-4-Bromopyrazole;4-bromo-1-t-butyl-1H-pyrazole;4-bromo-1-tert-butyl-1H-pyrazole;1H-Pyrazole, 4-bromo-1-(1,1-dimethylethyl)-
CBNumber
CB32515695
Molecular Formula
C7H11BrN2
Formula Weight
203.08
MOL File
70951-85-8.mol
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4-bromo-1-tert-butyl-1H-pyrazole Property

Boiling point:
229.8±13.0℃ (760 Torr)
Density 
1.37±0.1 g/cm3 (20 ºC 760 Torr)
Flash point:
92.8±19.8℃
storage temp. 
2-8°C
Appearance
Colorless to light yellow Liquid
InChI
InChI=1S/C7H11BrN2/c1-7(2,3)10-5-6(8)4-9-10/h4-5H,1-3H3
InChIKey
KLLXOOSSATXFFY-UHFFFAOYSA-N
SMILES
N1(C(C)(C)C)C=C(Br)C=N1
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC
Product number
B680178
Product name
4-Bromo-1-t-butylpyrazole
Packaging
100mg
Price
$65
Updated
2021/12/16
TRC
Product number
B680178
Product name
4-Bromo-1-t-butylpyrazole
Packaging
250mg
Price
$75
Updated
2021/12/16
AK Scientific
Product number
J93606
Product name
4-Bromo-1-t-butylpyrazole
Packaging
10g
Price
$140
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
HCH0365531
Product name
4-BROMO-1-(TERT-BUTYL)-1H-PYRAZOLE
Purity
95.00%
Packaging
5MG
Price
$500.92
Updated
2021/12/16
Ambeed
Product number
A348528
Product name
4-Bromo-1-(tert-butyl)-1H-pyrazole
Purity
95%
Packaging
1g
Price
$16
Updated
2021/12/16
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4-bromo-1-tert-butyl-1H-pyrazole Chemical Properties,Usage,Production

Synthesis

15754-60-6

70951-85-8

1. N-bromosuccinimide (NBS, 2.63 kg, 14.79 mol) was added batchwise to a solution of 1-tert-butylpyrazole (1.75 kg, 14.09 mol) in dichloromethane (12.9 kg) in an ice bath at 0°C to 10°C. The reaction was carried out by gas chromatography (GC). 2. The reaction mixture was kept stirred at 0 °C until the content of 1-tert-butylpyrazole was below 30% as shown by gas chromatography (GC) analysis. 3. the reaction mixture was gradually warmed to room temperature with continued stirring until the GC analysis showed that the content of 1-tert-butylpyrazole was less than 1.0%. 4. Upon completion of the reaction, 10% aqueous sodium bisulfite was added to the reaction mixture until it no longer showed blue color when detected using KI-starch test paper. 5. The organic phase was washed sequentially with 5% sodium chloride solution and saturated brine. 6. Evaporate the organic phase under pressure to obtain 4-bromo-1-tert-butyl-1H-pyrazole as a brown liquid (2.67 kg, yield 93.4%; GC purity 99.1%).

References

[1] Patent: WO2011/134971, 2011, A1. Location in patent: Page/Page column 16; 17; 72
[2] Patent: WO2008/33999, 2008, A2. Location in patent: Page/Page column 84
[3] Patent: WO2014/1377, 2014, A1. Location in patent: Page/Page column 104
[4] Patent: US2013/40984, 2013, A1. Location in patent: Paragraph 0393-0395
[5] Patent: WO2017/42100, 2017, A1. Location in patent: Page/Page column 43

4-bromo-1-tert-butyl-1H-pyrazole Preparation Products And Raw materials

Raw materials

Preparation Products

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4-bromo-1-tert-butyl-1H-pyrazole Suppliers

PharmaBlock Sciences (Nanjing),Inc.
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Energy Chemical
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Acorn PharmaTech Co., Ltd.
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Guangzhou Isun Pharmaceutical Co., Ltd
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020-39119399 18927568969
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Suzhou Sino Rare Chemical Co., Ltd.
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View Lastest Price from 4-bromo-1-tert-butyl-1H-pyrazole manufacturers

Career Henan Chemical Co
Product
4-bromo-1-tert-butyl-1H-pyrazole 70951-85-8
Price
US $5.50/KG
Min. Order
1KG
Purity
98%min
Supply Ability
1kg-100kg
Release date
2020-01-10

70951-85-8, 4-bromo-1-tert-butyl-1H-pyrazoleRelated Search:


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  • 4-Bromo-1-tert-butylpyrazole
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  • 1H-Pyrazole, 4-bromo-1-(1,1-dimethylethyl)-
  • 70951-85-8