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Basic Information
CAS No.: 16042-25-4
Name: 1H-Imidazole-2-carboxylic acid
Article Data: 18
Molecular Structure:
Molecular Structure of 16042-25-4 (1H-Imidazole-2-carboxylic acid)
Formula: C4H4N2O2
Molecular Weight: 112.088
Synonyms: Imidazole-2-carboxylicacid (8CI);2-Imidazocarboxylic acid;
EINECS: 261-537-6
Density: 1.524 g/cm3
Melting Point: 198 °C
Boiling Point: 407.9 °C at 760 mmHg
Flash Point: 200.5 °C
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 36/37/38-22
Safety: 22-26-36/37/39-36
PSA: 65.98000
LogP: 0.10790
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    2-Imidazolecarboxylic acid

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  • 1H-Imidazole-2-carboxylic acid

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    1H-Imidazole-2-carboxylic acid

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Chemistry

IUPAC Name: 1H-Imidazole-2-carboxylic acid
Synonyms of 1H-Imidazole-2-carboxylic acid (CAS NO.16042-25-4): 2-Imidazolecarboxylic acid
CAS NO: 16042-25-4
Molecular Formula: C4H4N2O2
Molecular Weight: 112.09
Molecular Structure:
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 44.12 Å2
Index of Refraction: 1.616
Molar Refractivity: 25.7 cm3
Molar Volume: 73.5 cm3
Surface Tension: 84.9 dyne/cm
Density: 1.524 g/cm3
Flash Point: 200.5 °C
Enthalpy of Vaporization: 69.58 kJ/mol
Boiling Point: 407.9 °C at 760 mmHg
Vapour Pressure: 2.19E-07 mmHg at 25°C
Melting point 198 ºC
SMILES: O=C(O)c1nccn1
InChI: InChI=1/C4H4N2O2/c7-4(8)3-5-1-2-6-3/h1-2H,(H,5,6)(H,7,8)
InChIKey: KYWMCFOWDYFYLV-UHFFFAOYAK
Std. InChI: InChI=1S/C4H4N2O2/c7-4(8)3-5-1-2-6-3/h1-2H,(H,5,6)(H,7,8)
Std. InChIKey: KYWMCFOWDYFYLV-UHFFFAOYSA-N
Product Categories of 1H-Imidazole-2-carboxylic acid (CAS NO.16042-25-4): Carboxylic Acids;Imidazoles & Benzimidazoles;Imidaxoles;Carboxylic Acids;Imidazoles & Benzimidazoles

Safety Profile

Hazard Codes: IrritantXi,Xn
Risk Statements: 36/37/38-22
R36/37/38: 1H-Imidazole-2-carboxylic acid (CAS NO.16042-25-4) is irritating to eyes, respiratory system and skin. 
R22:Harmful if swallowed.
Safety Statements: 22-26-36/37/39
S22: Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
HazardClass: IRRITANT