ChemicalBook > CAS DataBase List > 3-(TERT-BUTYL)-1H-PYRAZOLE

3-(TERT-BUTYL)-1H-PYRAZOLE

Product Name
3-(TERT-BUTYL)-1H-PYRAZOLE
CAS No.
15802-80-9
Chemical Name
3-(TERT-BUTYL)-1H-PYRAZOLE
Synonyms
3-(tert-Butyl);3(5)-T-Butylpyrazole;3-(tert-Butyl)pyrazole;5-tert-butyl-1H-pyrazole;3-(TERT-BUTYL)-1H-PYRAZOLE;5(3)-tert-butyl-1H-pyrazole;1H-Pyrazole, 3-(1,1-dimethylethyl)-;3-tert-Butyl-1H-pyrazole;3-tert-butyl-1H-pyrazole(SALTDATA: FREE)
CBNumber
CB2260671
Molecular Formula
C7H12N2
Formula Weight
124.18
MOL File
15802-80-9.mol
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3-(TERT-BUTYL)-1H-PYRAZOLE Property

Melting point:
53-54 °C
Boiling point:
127 °C(Press: 0.15 Torr)
Density 
0.972±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
form 
solid
pka
14.80±0.10(Predicted)
Appearance
Colorless to off-white <53°C Solid,>54°C oil
InChI
InChI=1S/C7H12N2/c1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3,(H,8,9)
InChIKey
YIDCITOHTLPMMZ-UHFFFAOYSA-N
SMILES
N1C=CC(C(C)(C)C)=N1
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Safety

Hazard Codes 
Xn
Risk Statements 
22-36/37/38
Safety Statements 
26
HazardClass 
IRRITANT
HS Code 
2933199090
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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

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

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

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
SYX00373
Product name
3-tert-Butyl-1H-pyrazole
Packaging
1g
Price
$259
Updated
2025/07/31
TRC
Product number
B695225
Product name
3-tert-Butyl-1H-pyrazole
Packaging
50mg
Price
$45
Updated
2021/12/16
TRC
Product number
B695225
Product name
3-tert-Butyl-1H-pyrazole
Packaging
100mg
Price
$60
Updated
2021/12/16
TRC
Product number
B695225
Product name
3-tert-Butyl-1H-pyrazole
Packaging
500mg
Price
$110
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB116682
Product name
3-tert-Butyl-1H-pyrazole
Packaging
100mg
Price
$58
Updated
2021/12/16
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3-(TERT-BUTYL)-1H-PYRAZOLE Chemical Properties,Usage,Production

Synthesis

75-97-8

1186-70-5

15802-80-9

A mixture of 3,3-dimethyl-2-butanone (6.19 mL) and bis(dimethylamino)methoxymethane (6.61 g) was heated to reflux for 10 hours. Upon completion of the reaction, the reaction mixture was concentrated under reduced pressure. To the concentrated residue was added hydrazine monohydrate (1.60 g) and n-butanol (24.9 mL) and the mixture was heated at reflux for 7 hours. The reaction mixture was again concentrated under reduced pressure to afford 3-tert-butyl-1H-pyrazole (3.79 g, 61% yield) as a yellow oily product. The H-NMR (CDCl3) data of the product were as follows: δ 1.34 (9H, s), 6.10 (1H, d, J = 2.0 Hz), 7.49 (1H, d, J = 2.0 Hz), 10.3 (1H, br s).

References

[1] Patent: WO2003/99793, 2003, A1. Location in patent: Page 252

3-(TERT-BUTYL)-1H-PYRAZOLE Preparation Products And Raw materials

Raw materials

Preparation Products

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3-(TERT-BUTYL)-1H-PYRAZOLE Suppliers

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15802-80-9, 3-(TERT-BUTYL)-1H-PYRAZOLERelated Search:


  • 3-(TERT-BUTYL)-1H-PYRAZOLE
  • 3(5)-T-Butylpyrazole
  • 3-tert-butyl-1H-pyrazole(SALTDATA: FREE)
  • 3-(tert-Butyl)pyrazole
  • 5(3)-tert-butyl-1H-pyrazole
  • 5-tert-butyl-1H-pyrazole
  • 3-(tert-Butyl)
  • 1H-Pyrazole, 3-(1,1-dimethylethyl)-
  • 3-<i>tert</i>-Butyl-1<i>H</i>-pyrazole
  • 15802-80-9