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Home > Encyclopedia > 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid structure

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid 

structure
  • CAS No:

    176969-34-9

  • Formula:

    C6H6F2N2O2

  • Chemical Name:

    3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

  • Synonyms:

    1H-Pyrazole-4-carboxylic acid,3-(difluoromethyl)-1-methyl-;3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid;3-Difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid;3-Difluoromethyl-1-methylpyrazole-4-carboxylic acid;3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid;1-Methyl-3-(difluoromethyl)pyrazole-4-carboxylic acid;3-(Difluoromethyl)-1-methyl-7H-pyrazole-4-carboxylic acid;1-Methyl-3-(difluoromethyl)-1H-pyrazole-4-carboxylic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Basic Attributes

176.12

176.12

700-093-4

20527OAN56

DTXSID80597105

2933199090

Characteristics

55.1

0.4

1.52g/cm3

315.9°C at 760 mmHg

144.9ºC

1.533

0.000179mmHg at 25°C

Safety Information

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (99.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 201 companies from 5 notifications to the ECHA C&L Inventory.

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Use and Manufacturing

Environmental transformation -> Pesticide transformation products (metabolite, successor)

CSAA798670 is a known environmental transformation product of Fluxapyroxad.

Computed Properties

Molecular Weight:176.12
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:176.03973376
Monoisotopic Mass:176.03973376
Topological Polar Surface Area:55.1
Heavy Atom Count:12
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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