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3-Chloro-2,4-difluoronitrobenzene

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Name

3-Chloro-2,4-difluoronitrobenzene

EINECS 411-980-8
CAS No. 3847-58-3 Density 1.591 g/cm3
PSA 45.82000 LogP 3.04960
Solubility N/A Melting Point 41-43 °C
Formula C6H2ClF2NO2 Boiling Point 243 °C at 760 mmHg
Molecular Weight 193.537 Flash Point 100.8 °C
Transport Information N/A Appearance light yellow crystal powder
Safety 36/37/39-45-61-60-28-26-22 Risk Codes 20/21/22-50/53-43-34-22
Molecular Structure Molecular Structure of 3847-58-3 (3-CHLORO-2,4-DIFLUORONITROBENZENE) Hazard Symbols CorrosiveC; DangerousN
Synonyms

2,4-Difluoro-3-chloronitrobenzene;2-Chloro-1,3-difluoro-4-nitrobenzene;3-Chloro-2,4-difluoro-1-nitrobenzene;3-Chloro-2,4-difluoronitrobenzene;NSC 10241;

 

3-Chloro-2,4-difluoronitrobenzene Specification

The CAS register number of Benzene,2-chloro-1,3-difluoro-4-nitro- is 3847-58-3. It also can be called as 3-Chloro-2,4-difluoronitrobenzene and the IUPAC name about this chemical is 2-chloro-1,3-difluoro-4-nitrobenzene. The molecular formula about this chemical is C6H2ClF2NO2 and the molecular weight is 193.53. It belongs to the Aromatic Halides (substituted).

Physical properties about Benzene,2-chloro-1,3-difluoro-4-nitro- are: (1)ACD/LogP: 2.49; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 45.82Å2; (5)Index of Refraction: 1.531; (6)Molar Refractivity: 37.68 cm3; (7)Molar Volume: 121.6 cm3; (8)Polarizability: 14.93x10-24cm3; (9)Surface Tension: 43.7 dyne/cm; (10)Enthalpy of Vaporization: 46.06 kJ/mol; (11)Boiling Point: 243 °C at 760 mmHg; (12)Vapour Pressure: 0.0513 mmHg at 25°C.

Uses of Benzene,2-chloro-1,3-difluoro-4-nitro-: it can be used to produce S-(2-chloro-3-fluoro-6-nitrophenyl)thiolactic acid with 2-mercapto-propionic acid at temperature of 80 ℃. This reaction will need reagent NaOH and solvent H2O, dimethylsulfoxide with reaction time of 2 hours. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment and it is harmful by inhalation, in contact with skin and if swallowed, it can cause burns and it may cause sensitization by skin contact. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you need do not breathe dust and avoid release to the environment. Refer to special instructions / safety data sheets. After contact with skin, wash immediately with plenty of soap-suds. This material and its container must be disposed of as hazardous waste. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc([N+]([O-])=O)c(F)c1Cl
(2)InChI: InChI=1/C6H2ClF2NO2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H
(3)InChIKey: CTVBVNKEMCGZDF-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H2ClF2NO2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H
(5)Std. InChIKey: CTVBVNKEMCGZDF-UHFFFAOYSA-N

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