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21397-07-9

Basic Information
CAS No.: 21397-07-9
Name: 2-Chloro-3-fluoronitrobenzene
Article Data: 7
Molecular Structure:
Molecular Structure of 21397-07-9 (2-Chloro-3-fluoronitrobenzene)
Formula: C6H3ClFNO2
Molecular Weight: 175.547
Synonyms: 2-Chloro-1-fluoro-3-nitrobenzene;2-Chlor-1-fluor-3-nitrobenzol;1-Chloro-2-fluoro-6-nitrobenzene;2-chloro-3-fluoro-1-nitrobenzene;
EINECS: 244-365-6
Density: 1.494 g/cm3
Boiling Point: 243.3°C at 760 mmHg
Flash Point: 101 °C
Hazard Symbols: ToxicT
PSA: 45.82000
LogP: 2.91050
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Specification

The Benzene,2-chloro-1-fluoro-3-nitro-, with the CAS registry number 21397-07-9, is also known as 2-Chloro-3-fluoronitrobenzene. It belongs to the product categories of Multisubstituted Benzene; Aromatic Halides (substituted); Benzenes. Its EINECS number is 244-365-6. This chemical's molecular formula is C6H3ClFNO2 and formula weight is 175.54. What's more, its IUPAC name is 2-chloro-1-fluoro-3-nitrobenzene.

Physical properties of Benzene,2-chloro-1-fluoro-3-nitro- are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/BCF (pH 5.5): 39.02; (4)ACD/KOC (pH 5.5): 479.32; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å2; (9)Index of Refraction: 1.554; (10)Molar Refractivity: 37.68 cm3; (11)Molar Volume: 117.4 cm3; (12)Surface Tension: 45.9 dyne/cm; (13)Density: 1.494 g/cm3; (14)Flash Point: 101 °C; (15)Enthalpy of Vaporization: 46.09 kJ/mol; (16)Boiling Point: 243.3 °C at 760 mmHg; (17)Vapour Pressure: 0.0503 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)F)Cl)[N+](=O)[O-]
(2)InChI: InChI=1S/C6H3ClFNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H
(3)InChIKey: NJZSQTMICFLABM-UHFFFAOYSA-N