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Benzene,1-chloro-5-fluoro-2,4-dinitro-

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Name

Benzene,1-chloro-5-fluoro-2,4-dinitro-

EINECS N/A
CAS No. 327-91-3 Density 1.705 g/cm3
PSA 91.64000 LogP 3.34190
Solubility N/A Melting Point 74 °C
Formula C6H2ClFN2O4 Boiling Point 320.1 °C at 760 mmHg
Molecular Weight 220.544 Flash Point 147.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 327-91-3 (1-CHLORO-5-FLUORO-2,4-DINITROBENZENE) Hazard Symbols IrritantXi
Synonyms

1-Chloro-5-fluoro-2,4-dinitrobenzene;3-Chloro-4,6-dinitrofluorobenzene;NSC 10240;

Article Data 4

Benzene,1-chloro-5-fluoro-2,4-dinitro- Specification

The Benzene, 1-chloro-5-fluoro-2, 4-dinitro-, with the CAS registry number 327-91-3, is also known as 1-Chloro-2, 4-dinitro-5-fluorobenzene. This chemical's molecular formula is C6H2ClFN2O4 and molecular weight is 220.54. What's more, its IUPAC name is 1-Chloro-5-fluoro-2, 4-dinitrobenzene.

Physical properties about Benzene, 1-chloro-5-fluoro-2, 4-dinitro- are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 91.64 Å2; (7)Index of Refraction: 1.6; (8)Molar Refractivity: 44.23 cm3; (9)Molar Volume: 129.2 cm3; (10)Polarizability: 17.53×10-24 cm3; (11)Surface Tension: 60.9 dyne/cm; (12)Density: 1.705 g/cm3; (13)Flash Point: 147.4 °C; (14)Enthalpy of Vaporization: 53.93 kJ/mol; (15)Boiling Point: 320.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000609 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. 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: O=[N+]([O-])c1cc(c(F)cc1Cl)[N+]([O-])=O
(2) InChI: InChI=1/C6H2ClFN2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
(3) InChIKey: RXVKLMKODREOIW-UHFFFAOYAF

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