1-Methyl-1H-pyrazole-4-carboxylic acid, 98%

Name: 1-Methyl-1H-pyrazole-4-carboxylic acid
Brand: Chempure

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CAS Number

5952-92-1

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IUPAC name	1-methylpyrazole-4-carboxylic acid
inchi	InChI=1S/C5H6N2O2/c1-7-3-4(2-6-7)5(8)9/h2-3H,1H3,(H,8,9)
inchi key	UPPPWUOZCSMDTR-UHFFFAOYSA-N
molecular formula	C5H6N2O2
synonyms	1-methyl-1H-pyrazole-4-carboxylic acid 5952-92-1 1-methylpyrazole-4-carboxylic acid 1-Methyl-4-pyrazolecarboxylic acid 1H-pyrazole-4-carboxylic acid, 1-methyl-
Compound Description	1-methyl-pyrazole-4-carboxylic acid is a member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group at position 4. It has a role as a metabolite. It is a member of pyrazoles and a monocarboxylic acid. It is functionally related to a N-methylpyrazole.

Computed Properties

Molecular Weight:	126.11 g/mol
XLogP3:	-0.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	126.042927438 g/mol
Monoisotopic Mass:	126.042927438 g/mol
Topological Polar Surface Area:	55.1 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	126
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	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	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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Product No: CJ2706

1-Methyl-1H-pyrazole-4-carboxylic acid, 98%

Product No: CJ2706

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

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