2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene

Basic Information

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CAS Number

393-75-9

Molecular Formula

C7H2ClF3N2O4

Molecular Weight

270.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

56.0 to 58.0 deg-C

Boiling Point

>250°C

Water Solubility

Insoluble in water.

Solubility

water: insoluble

SMILES

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C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H

InChIKey

HFHAVERNVFNSHL-UHFFFAOYSA-N

LogP

4.22160

Complexity

303

Safety Information

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GHS Hazard Pictograms

H302

H310

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H310 Fatal in contact with skin
Acute toxicity, dermal

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

NCIOpen2_005439
NSC 88274
NCGC00091329-03
Toluene, 4-chloro-3,5-dinitro-.alpha.,.alpha.,.alpha.-trifluoro-
2-chloro-5-trifluoromethyl-1,3-dinitrobenzene
4-Chloro-3,5-dinitrobenzotrifluoride, 98%
Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-
NS00007763
EINECS 206-889-3
SCHEMBL455937
Toluene, 4-chloro-3,5-dinitro-alpha,alpha,alpha-trifluoro-
NSC-88274
2,6-Dinitro-4-trifluoromethylchlorobenzene
UNII-T97IUB50MN
CDNT
4-Chloro-3, 5-dinitrobenzotrifluoride
AKOS000120597
Tox21_200966
DTXSID8024781
Trifluoromethyl-3,5-dinitro-4-chlorobenzene
Benzene,3-dinitro-5-(trifluoromethyl)-
2,6-dinitro-4-trifluoromethyl-1-chlorobenzene
Benzene, 1-chloro-2,6-dinitro-4-trifluoromethyl
BDBM50068343
Q15632822
Toluene, 4-chloro-alpha,alpha,alpha-trifluoro-3,5-dinitro-
4-chloro-3,5-dinitro benzotrifluoride
3,5-Dinitro-4-chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene
NCGC00091329-02
W-106439
FT-0601466

MDL Number

MFCD00007068

Customs Code

2904909090

FAQ

What is 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene (CAS: 393-75-9)?

2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene (CAS: 393-75-9) is an aromatic organic compound with the molecular formula C7H3ClF3N2O4. It features a benzene ring substituted with a chloro group at position 2, nitro groups at positions 1 and 3, and a trifluoromethyl group at position 5. This compound is known for its stability, low solubility in water, and potential applications in specialized chemical processes. Its structure makes it a valuable intermediate in the synthesis of various functional chemicals.

What are the main uses of 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene (CAS: 393-75-9)?

2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene (CAS: 393-75-9) is primarily used as a synthetic intermediate in pharmaceuticals, agrochemicals, and industrial dyes. It plays a role in the development of pesticides, antifungal agents, and organic compounds with specific functional groups. Its unique combination of chlorine, nitro, and trifluoromethyl substituents makes it suitable for applications requiring high reactivity or stability. Research also explores its potential in material science and chemical synthesis.

Is 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene (CAS: 393-75-9) safe?

2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene (CAS: 393-75-9) requires careful handling due to its potential toxicity and irritant properties. Exposure may cause harm to the respiratory system, skin, or eyes, necessitating protective measures like gloves, goggles, and proper ventilation. It is classified under safety standards requiring adherence to chemical safety protocols. Always consult safety data sheets (SDS) for detailed risk assessments and handling guidelines.

How should 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene (CAS: 393-75-9) be stored?

Store 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene (CAS: 393-75-9) in a cool, dry, and dark location to maintain stability. Keep it in a sealed container made of glass or inert material to prevent moisture and contamination. Avoid exposure to light and incompatible substances. Maintain storage conditions below 25°C and ensure humidity levels are controlled. Always store away from heat sources and follow proper chemical storage guidelines.