Pyridine,3-iodo-2-nitro- supplier

Name
3-IODO-2-NITROPYRIDINE
EINECS
CAS No. 54231-34-4
Article Data2
CAS DataBase
Density 2.145 g/cm³
Solubility
Melting Point 100-101 °C
Formula C₅H₃IN₂O₂
Boiling Point 336.573 °C at 760 mmHg
Molecular Weight 249.996
Flash Point 157.354 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms 3-Iodo-2-nitropyridine;
PSA 58.71000
LogP 2.11760

Pyridine,3-iodo-2-nitro- Specification

The Pyridine,3-iodo-2-nitro-, with the CAS registry number 54231-34-4, belongs to the product category of Pyridine. This chemical's molecular formula is C₅H₃IN₂O₂ and molecular weight is 249.994. Its systematic name is called 3-iodo-2-nitropyridine.

Physical properties of Pyridine,3-iodo-2-nitro-: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 133; (8)ACD/KOC (pH 7.4): 133; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.675; (13)Molar Refractivity: 43.796 cm³; (14)Molar Volume: 116.572 cm³; (15)Surface Tension: 66.202 dyne/cm; (16)Density: 2.145 g/cm³; (17)Flash Point: 157.354 °C; (18)Enthalpy of Vaporization: 55.677 kJ/mol; (19)Boiling Point: 336.573 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cccnc1N(=O)=O
(2)InChI: InChI=1/C5H3IN2O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H
(3)InChIKey: LOKURQBFRJDSOB-UHFFFAOYAT

Product Name

3-IODO-2-NITROPYRIDINE

Pyridine,3-iodo-2-nitro- Specification

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