2-Acetoxy-4-(trifluoromethyl)benzoic acid

Basic Information

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CAS Number

322-79-2

Molecular Formula

C10H7F3O4

Molecular Weight

248.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

113.0 to 117.0 deg-C

Boiling Point

316°C at 760 mmHg

Density

1.433

Flash Point

144.9 °C

Solubility

DMSO: >30mg/mL

Refractive Index

1.483

SMILES

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CC(=O)Oc1cc(ccc1C(=O)O)C(F)(F)F

InChI

InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)

InChIKey

RMWVZGDJPAKBDE-UHFFFAOYSA-N

LogP

2.3289

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

313

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-Acetoxy-4-trifluoromethylbenzoic acid
4-cresoticacid,alpha,alpha,alpha-trifluoro-acetate
4-trifluoromethylsalicylicacidacetate
alpha,alpha,alpha-trifluoro-2,4-creosoticacidacetate
ur1501
3-acetoxy-alpha,alpha,alpha-trifluoro-p-toluic acid
TRIFLUOROTRIMESICACID
Triflusal
2-acetyloxy-4-(trifluoromethyl)benzoic acid
2-Acetoxy-4-trifluormethyl-benzoesaeure
2-Acetyloxy-4-trifluoromethylbenzoic acid
Disgren
EINECS 206-297-5
Triflusal [INN]
Triflusalum [INN-Latin]
α,α,α-trifluoro-2,4-cresotic acid acetate
2-(Acetyloxy)-4-(trifluoromethyl)benzoic acid
Drisgen
acetyl-4-trifluoromethylsalicylic acid
2-Acetoxy-4-(trifluoromethyl)benzoic Acid
Acetyl-4-(trifluoromethyl)salicylic Acid
2-acetoxy-4-(trifluoromethyl)benzoic acid

MDL Number

MFCD00866793

Customs Code

2918990090

FAQ

What regulatory guidelines apply to 2-Acetoxy-4-(trifluoromethyl)benzoic acid (CAS: 322-79-2)?

2-Acetoxy-4-(trifluoromethyl)benzoic acid (CAS: 322-79-2) must comply with various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements in the United States. This compound is classified as a hazardous substance due to its physical and chemical properties, and it is subject to environmental and safety regulations concerning its production, handling, and disposal.

Are there alternatives to 2-Acetoxy-4-(trifluoromethyl)benzoic acid (CAS: 322-79-2) in synthesis?

Several alternatives to 2-Acetoxy-4-(trifluoromethyl)benzoic acid (CAS: 322-79-2) can be used in synthesis, including similar aromatic carboxylic acids with different functional groups, or analogous compounds with trifluoromethyl substituents. Common alternatives include 2-Acetoxybenzoic acid and 4-(trifluoromethyl)benzoic acid, which may offer similar reactivity but with different properties and applications.

What is the market or research trend for 2-Acetoxy-4-(trifluoromethyl)benzoic acid (CAS: 322-79-2)?

The market for 2-Acetoxy-4-(trifluoromethyl)benzoic acid (CAS: 322-79-2) is influenced by its applications in pharmaceuticals and organic synthesis. Recent research trends focus on its use as an intermediate in drug development and as a reagent for synthesizing other compounds. Market trends indicate growing interest in this compound due to its unique chemical properties, driving demand in academic and industrial settings.

How should waste containing 2-Acetoxy-4-(trifluoromethyl)benzoic acid (CAS: 322-79-2) be handled?

Waste containing 2-Acetoxy-4-(trifluoromethyl)benzoic acid (CAS: 322-79-2) should be managed according to local and international hazardous waste regulations. This typically involves proper collection, storage, and disposal. Waste liquids should be collected in compatible containers, labeled appropriately, and stored in a secure, well-ventilated area. Professional waste disposal services should be utilized for incineration or other environmentally safe disposal methods, ensuring compliance with environmental protection standards and minimizing ecological impact.