1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid, 98%

Name: 1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

1004643-64-4

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About this item

IUPAC name	1-(difluoromethyl)-5-methylpyrazole-3-carboxylic acid
inchi	InChI=1S/C6H6F2N2O2/c1-3-2-4(5(11)12)9-10(3)6(7)8/h2,6H,1H3,(H,11,12)
inchi key	TUXYFJUEAARJQQ-UHFFFAOYSA-N
molecular formula	C6H6F2N2O2
synonyms	1-(difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid 1004643-64-4 1-(difluoromethyl)-5-methyl-pyrazole-3-carboxylic Acid 1-(difluoromethyl)-5-methylpyrazole-3-carboxylic acid MFCD04970128

Computed Properties

Molecular Weight:	176.12 g/mol
XLogP3:	1.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	2
Exact Mass:	176.03973376 g/mol
Monoisotopic Mass:	176.03973376 g/mol
Topological Polar Surface Area:	55.1 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	188
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AX1859

1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid, 98%

Product No: AX1859

About this item

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Product No: AX1859

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?