3-Amino-1H-pyrazole-4-carboxylic acid, 95%

Name: 3-Amino-1H-pyrazole-4-carboxylic acid
Brand: Chempure

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CAS Number

41680-34-6

Molecular Weight

127.10

Formula

C4H5N3O2

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About this item

IUPAC name	5-amino-1H-pyrazole-4-carboxylic acid
canonical smiles	C1=NNC(=C1C(=O)O)N
inchi	InChI=1S/C4H5N3O2/c5-3-2(4(8)9)1-6-7-3/h1H,(H,8,9)(H3,5,6,7)
inchi key	KMRVTZLKQPFHFS-UHFFFAOYSA-N
molecular formula	C4H5N3O2
synonyms	41680-34-6 3-Aminopyrazole-4-carboxylic acid 3-Amino-1H-pyrazole-4-carboxylic acid 3-Amino-4-pyrazolecarboxylic acid 5-amino-1H-pyrazole-4-carboxylic acid

Computed Properties

Molecular Weight:	127.10 g/mol
XLogP3:	-0.1
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	127.038176411 g/mol
Monoisotopic Mass:	127.038176411 g/mol
Topological Polar Surface Area:	92 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	127
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: AA8017

3-Amino-1H-pyrazole-4-carboxylic acid, 95%

Product No: AA8017

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Product No: AA8017

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?