3,5-Bis(trifluoromethyl)benzoyl chloride

Basic Information

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CAS Number

785-56-8

Molecular Formula

C9H3ClF6O

Molecular Weight

276.56 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

5-10C

Boiling Point

81°C/24mmHg

Density

1.526 g/mL at 25 °C

Refractive Index

n20/D 1.435(lit.)

SMILES

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C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl

InChI

InChI=1S/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H

InChIKey

WAKMMQSMEDJRRI-UHFFFAOYSA-N

LogP

4.1032

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

275

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

3,5-bis-trifluoromethylbenzoylchloride
F2190-0084
3,5-Bis(trifluoromethyl)benzoyl chloride
A16108
FT-0623057
3,5 di(trifluormethyl)benzoyl chloride
3,5-bistrifluoromethyl-benzoyl chloride
STR04378
NS00042218
3,5-Bis(trifluoromethyl)benzoyl chloride, 97%
785-56-8
3,5-bistrifluoromethyl benzoyl chloride
3,5-bis(trifluoromethyl)benzoylchloride
3,5-bistrifluoromethyl benzoylchloride
3,5-bis(trifluoro-methyl)benzoyl chloride
SCHEMBL322157
AKOS005259939
DTXSID30229126
3,5-bistrifluoromethylbenzoyl chloride
3,5-bis(trifluoromethyl)-benzoyl chloride
WAKMMQSMEDJRRI-UHFFFAOYSA-
Benzoyl chloride, 3,5-bis(trifluoromethyl)-
InChI=1/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H
MFCD00000387
B2000
3,5-bis trifluoro methyl benzoyl chloride
W-104275
3,5-bis-trifluoromethylbenzoyl chloride
AMY8721
3,5-bis(trifluoromethyl) benzoyl chloride
FT-0614459

MDL Number

MFCD00000387

Customs Code

2942000000

FAQ

What regulatory guidelines apply to 3,5-Bis(trifluoromethyl)benzoyl chloride (CAS: 785-56-8)?

3,5-Bis(trifluoromethyl)benzoyl chloride (CAS: 785-56-8) is a hazardous chemical classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a Category 1A skin corrosion/irritation agent. It is subject to the European Union's Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations, which require manufacturers and importers to register substances above 1 tonne per year. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific guidelines for the handling, storage, and disposal of this compound to ensure worker safety and environmental protection.

Are there alternatives to 3,5-Bis(trifluoromethyl)benzoyl chloride (CAS: 785-56-8) in synthesis?

While 3,5-Bis(trifluoromethyl)benzoyl chloride (CAS: 785-56-8) is a versatile reagent, alternatives include trifluoromethylbenzoyl chloride itself or other trifluoromethyl-containing reagents such as trifluoromethylbenzoic acid chloride. These alternatives offer similar functional group introduction capabilities but may vary in reactivity and compatibility with specific synthetic routes. It is essential to evaluate the reactivity, solubility, and safety of these alternatives to ensure they meet the desired synthetic objectives.

What is the market or research trend for 3,5-Bis(trifluoromethyl)benzoyl chloride (CAS: 785-56-8)?

The market for 3,5-Bis(trifluoromethyl)benzoyl chloride (CAS: 785-56-8) has seen growing demand due to its critical role in the synthesis of pharmaceuticals, agrochemicals, and polymers. Research trends are focusing on the development of more efficient and environmentally friendly synthetic methods, as well as the exploration of new applications in materials science and drug discovery. The increasing focus on trifluoromethylated compounds highlights their importance in modern chemical research and industry.

How should waste containing 3,5-Bis(trifluoromethyl)benzoyl chloride (CAS: 785-56-8) be handled?

Waste containing 3,5-Bis(trifluoromethyl)benzoyl chloride (CAS: 785-56-8) should be managed according to local and international regulations. Proper waste collection should involve the use of appropriate containers to prevent leaks or spills. The waste should then be neutralized or treated to reduce the risk of environmental contamination. For safe disposal, consult with a licensed hazardous waste management company. Always follow recommended safety precautions, such as wearing personal protective equipment (PPE) and ensuring proper ventilation during handling and disposal processes.