Benzoic acid,4-(2-pyrazinyl)- supplier

Name
4-(PYRAZIN-2-YL)BENZOIC ACID
EINECS
CAS No. 216060-23-0
Article Data4
CAS DataBase
Density 1.303 g/cm³
Solubility
Melting Point
Formula C₁₁H₈N₂O₂
Boiling Point 396.413 °C at 760 mmHg
Molecular Weight 200.197
Flash Point 193.544 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 4-pyrazinyl- (9CI);4-(Pyrazin-2-yl)benzoic acid;
PSA 63.08000
LogP 1.84180

Benzoic acid,4-(2-pyrazinyl)- Specification

The Benzoic acid,4-(2-pyrazinyl)-, with CAS registry number 216060-23-0, belongs to the following product categories: (1)Carboxylic Acids; (2)Phenyls & Phenyl-Het. It has the systematic name of 4-(pyrazin-2-yl)benzoic acid. Besides this, it is also called 4-(3,6-Dimethylpyrazin-2-yl)benzoic acid. And the chemical formula of this chemical is C₁₁H₈N₂O₂.

Physical properties of Benzoic acid,4-(2-pyrazinyl)-: (1)ACD/LogP: 1.26; (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): 2; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.08 Å²; (11)Index of Refraction: 1.62; (12)Molar Refractivity: 53.957 cm³; (13)Molar Volume: 153.695 cm³; (14)Polarizability: 21.39×10^-24cm³; (15)Surface Tension: 61.871 dyne/cm; (16)Density: 1.303 g/cm³; (17)Flash Point: 193.544 °C; (18)Enthalpy of Vaporization: 68.203 kJ/mol; (19)Boiling Point: 396.413 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccc(c1nccnc1)cc2
(2)InChI: InChI=1/C11H8N2O2/c14-11(15)9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-7H,(H,14,15)
(3)InChIKey: DCCMRHMNLNXEDE-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H8N2O2/c14-11(15)9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-7H,(H,14,15)
(5)Std. InChIKey: DCCMRHMNLNXEDE-UHFFFAOYSA-N

Product Name

4-(PYRAZIN-2-YL)BENZOIC ACID

Benzoic acid,4-(2-pyrazinyl)- Specification

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