Benzoic acid,4-(5-nitro-2-pyridinyl)- supplier

Name
4-(5-NITROPYRIDIN-2-YL)BENZOIC ACID
EINECS
CAS No. 223127-49-9
Article Data1
CAS DataBase
Density 1.417 g/cm³
Solubility
Melting Point 307-309 °C
Formula C₁₂H₈N₂O₄
Boiling Point 456.463 °C at 760 mmHg
Molecular Weight 244.2
Flash Point 229.861 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 4-(5-nitro-2-pyridinyl)-;
PSA 96.01000
LogP 2.87820

Benzoic acid,4-(5-nitro-2-pyridinyl)- Specification

The Benzoic acid,4-(5-nitro-2-pyridinyl)-, with the CAS registry number of 223127-49-9, is also known as Benzoic acid, 4-(5-nitro-2-pyridinyl)-. This chemical's molecular formula is C₁₂H₈N₂O₄ and molecular weight is 244.2. What's more, its systematic name is 4-(5-Nitropyridin-2-yl)benzoic acid.

Physical properties about the Benzoic acid,4-(5-nitro-2-pyridinyl)- are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 96.01 Å²; (12)Index of Refraction: 1.644; (13)Molar Refractivity: 62.412 cm³; (14)Molar Volume: 172.313 cm³; (15)Surface Tension: 66.675 dyne/cm; (16)Density: 1.417 g/cm³; (17)Flash Point: 229.861 °C; (18)Enthalpy of Vaporization: 75.49 kJ/mol; (19)Boiling Point: 456.463 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1ccc(cc1)c2ccc(cn2)N(=O)=O
(2) InChI: InChI=1/C12H8N2O4/c15-12(16)9-3-1-8(2-4-9)11-6-5-10(7-13-11)14(17)18/h1-7H,(H,15,16)
(3) InChIKey: XYMUGROHPQPRST-UHFFFAOYAG

Product Name

4-(5-NITROPYRIDIN-2-YL)BENZOIC ACID

Benzoic acid,4-(5-nitro-2-pyridinyl)- Specification

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