1H-Imidazole-4-carboxylic acid, 97%

Name: 1H-Imidazole-4-carboxylic acid
Brand: Chempure

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CAS Number

1072-84-0

Molecular Weight

112.09

Formula

C4H4N2O2

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About this item

IUPAC name	1H-imidazole-5-carboxylic acid
inchi	InChI=1S/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)
inchi key	NKWCGTOZTHZDHB-UHFFFAOYSA-N
molecular formula	C4H4N2O2
synonyms	1H-Imidazole-4-carboxylic acid 1072-84-0 1H-Imidazole-5-carboxylic acid 4-Imidazolecarboxylic acid IMIDAZOLE-4-CARBOXYLIC ACID
Compound Description	3H-imidazole-4-carboxylic acid is a member of imidazoles. Imidazole-4-carboxylic acid is under investigation in clinical trial NCT00583895 .

Computed Properties

Molecular Weight:	112.09 g/mol
XLogP3:	-0.1
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	112.027277375 g/mol
Monoisotopic Mass:	112.027277375 g/mol
Topological Polar Surface Area:	66 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	104
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 (97.7%)
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 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AA7714

1H-Imidazole-4-carboxylic acid, 97%

Product No: AA7714

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Product No: AA7714

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?