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5-Chloro-2-fluoronitrobenzene

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Name

5-Chloro-2-fluoronitrobenzene

EINECS 206-457-4
CAS No. 345-18-6 Density 1.494g/cm3
PSA 45.82000 LogP 2.91050
Solubility N/A Melting Point 8.3 °C
Formula C6H3ClFNO2 Boiling Point 236 °C
Molecular Weight 175.547 Flash Point 97.2°C
Transport Information N/A Appearance N/A
Safety 36/37/39-45 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 345-18-6 (5-Chloro-2-fluoronitrobenzene) Hazard Symbols
Synonyms

2-Fluoro-5-Chloronitrobenzene;2-Fluoro-5-chloro-1-nitrobenzene;4-Chloro-1-fluoro-2-nitrobenzene;5-Chloro-2-fluoronitrobenzene;

Article Data 15

5-Chloro-2-fluoronitrobenzene Specification

The 5-Chloro-2-fluoronitrobenzene with cas registry number of 345-18-6 is also known as 4-Chloro-1-fluoro-2-nitrobenzene which is also its systematic name and IUPAC name. Its EINECS registry number is 206-457-4. This chemical belongs to several categories: Aromatic Halides (substituted); Miscellaneous.

The physical properties about this chemical are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 34.7; (6)ACD/BCF (pH 7.4): 34.7; (7)ACD/KOC (pH 5.5): 440.77; (8)ACD/KOC (pH 7.4): 440.77; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 37.68 cm3; (14)Molar Volume: 117.4 cm3; (15)Surface Tension: 45.9 dyne/cm; (16)Density: 1.494 g/cm3; (17)Flash Point: 97.2 °C; (18)Enthalpy of Vaporization: 45.47 kJ/mol; (19)Boiling Point: 237.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0702 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and harmful by inhalation, in contact with skin and if swallowed. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c([N+]([O-])=O)cc(Cl)cc1;
(2)InChI: InChI=1/C6H3ClFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H;
(3)InChIKey: DIAWBHLTWNWYGR-UHFFFAOYAY

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