-
Name
Pyrazine-2,5-dicarboxylic acid
- EINECS 1308068-626-2
- CAS No. 122-05-4
- Article Data2
- CAS DataBase
- Density 1.665 g/cm3
- Solubility Slightly soluble in water.
- Melting Point 220-230°C
- Formula C6H4N2O4
- Boiling Point 466.5 °C at 760 mmHg
- Molecular Weight 168.109
- Flash Point 236 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols R36/37/38:;
- Synonyms NSC 80650;2,5-pyrazinedicarboxylic acid;
- PSA 100.38000
- LogP -0.12700
Pyrazine-2,5-dicarboxylic acid Specification
The 2,5-Pyrazinedicarboxylicacid, with the CAS registry number 122-05-4, has the systematic name of pyrazine-2,5-dicarboxylic acid. It belongs to the product categories of Pharmacetical and Pyrazine. And the molecular formula of the chemical is C6H4N2O4.
The characteristics of 2,5-Pyrazinedicarboxylicacid are as followings: (1)ACD/LogP: -2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 78.38 Å2; (11)Index of Refraction: 1.638; (12)Molar Refractivity: 36.29 cm3; (13)Molar Volume: 100.9 cm3; (14)Polarizability: 14.38×10-24cm3; (15)Surface Tension: 100.7 dyne/cm; (16)Density: 1.665 g/cm3; (17)Flash Point: 236 °C; (18)Enthalpy of Vaporization: 76.74 kJ/mol; (19)Boiling Point: 466.5 °C at 760 mmHg; (20)Vapour Pressure: 1.67E-09 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ncc(nc1)C(=O)O
(2)InChI: InChI=1/C6H4N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h1-2H,(H,9,10)(H,11,12)
(3)InChIKey: GMIOYJQLNFNGPR-UHFFFAOYAK
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