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CAS No.: | 34515-82-7 |
---|---|
Name: | 2-CHLORO-3-NITROPYRIDINE |
Molecular Structure: | |
Formula: | C5H3ClN2O2 |
Molecular Weight: | 158.544 |
Synonyms: | 2-Chloro-3-nitropyridine; |
EINECS: | 226-799-8 |
Density: | 1.489 g/cm3 |
Melting Point: | 100-103 °C(lit. ) |
Boiling Point: | 260.3 °C at 760 mmHg |
Flash Point: | 111.2 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/22 |
Safety: | 22-24/25 |
Transport Information: | UN 2811 |
PSA: | 58.71000 |
LogP: | 2.16640 |
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The Pyridine, 2-chloro-3-nitro-, with the CAS registry number of 34515-82-7, is also known as AURORA KA-2997. It belongs to the product categories of Halides; Pyridines. Its EINECS registry number is 226-799-8. This chemical's molecular formula is C5H3ClN2O2 and molecular weight is 158.54. What's more, its IUPAC name is 2-Chloro-3-nitropyridine.
Physical properties about Pyridine, 2-chloro-3-nitro- are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.56; (6)ACD/BCF (pH 7.4): 3.56; (7)ACD/KOC (pH 5.5): 86.36; (8)ACD/KOC (pH 7.4): 86.36; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 35.78 cm3; (15)Molar Volume: 106.4 cm3; (16)Polarizability: 14.18×10-24 cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.489 g/cm3; (19)Flash Point: 111.2 °C; (20)Enthalpy of Vaporization: 47.79 kJ/mol; (21)Boiling Point: 260.3 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25 °C; (23)Melting Point: 100-103 °C(lit. ).
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and if swallowed. In addition, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(nc1)Cl)[N+](=O)[O-]
(2) InChI: InChI=1/C5H3ClN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H
(3) InChIKey: UUOLETYDNTVQDY-UHFFFAOYAG