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Pyrimidine-2-carboxylic acid

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Name

Pyrimidine-2-carboxylic acid

EINECS N/A
CAS No. 31519-62-7 Density 1.403 g/cm3
PSA 63.08000 LogP 0.17480
Solubility N/A Melting Point 182-185°C
Formula C5H4N2O2 Boiling Point 362.624 °C at 760 mmHg
Molecular Weight 124.099 Flash Point 173.109 °C
Transport Information N/A Appearance White to off-white solid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 31519-62-7 (Pyrimidine-2-carboxylic acid) Hazard Symbols IrritantXi
Synonyms

2-Carboxypyrimidine;2-Pyrimidinecarboxylicacid;

Article Data 13

Pyrimidine-2-carboxylic acid Specification

The Pyrimidine-2-carboxylic acid with cas registry number of 31519-62-7 is a white to off-white solid. It belongs to several categories: APIS & intermediate; pharmacetical; carboxylic acids; pyrazines, pyrimidines & pyridazines. Both its systematic name and IUPAC name are the same which is called pyrimidine-2-carboxylic acid.

The physical properties about this chemical are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 29.365 cm3; (14)Molar Volume: 88.411 cm3; (15)Surface Tension: 72.181 dyne/cm; (16)Density: 1.404 g/cm3; (17)Flash Point: 173.109 °C; (18)Enthalpy of Vaporization: 64.213 kJ/mol; (19)Boiling Point: 362.624 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, it is better to wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ncccn1;
(2)InChI: InChI=1/C5H4N2O2/c8-5(9)4-6-2-1-3-7-4/h1-3H,(H,8,9);
(3)InChIKey: ZFCHNZDUMIOWFV-UHFFFAOYAR

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