2-(Difluoromethoxy)benzoic acid

Basic Information

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CAS Number

97914-59-5

Molecular Formula

C8H6F2O3

Molecular Weight

188.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

98-100°C

Boiling Point

274 ºC

Density

1.370

Flash Point

119 ºC

SMILES

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C1=CC=C(C(=C1)C(=O)O)OC(F)F

InChI

InChI=1S/C8H6F2O3/c9-8(10)13-6-4-2-1-3-5(6)7(11)12/h1-4,8H,(H,11,12)

InChIKey

AGDOJFCUKQMLHD-UHFFFAOYSA-N

LogP

1.9862

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

184

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

2-(Difluoromethoxy)benzoic acid
2-(Difluorometoxy)benzoic acid
Benzoic acid, 2-(difluoromethoxy)-
2-difluoromethoxybenzoic acid
2-difluoromethoxy-benzoic acid
RARECHEM AL BO 1907
2-(difluoromethoxy)-benzoic acid
AGDOJFCUKQMLHD-UHFFFAOYSA-N
HMS1756N14
Benzoic acid,2-(difluoromethoxy)-
STK315356
CK1063
SBB029907
2-[bis(fluoranyl)methoxy]benzoic acid
2-(Difluoromethoxy)benzoic acid (ACI)
2-(Difluoromethoxy)benzoic acid, AldrichCPR
AKOS000201720
DB-057694
EN300-06879
Z56946844
CS-0039279
SY106435
PS-8445
AK-968/13278099
DTXSID10366240
MFCD00236223
F8880-6667
2-(difluoromethoxy)benzoicacid
SCHEMBL975946
2-(difluoromethoxy)benzoic acid
97914-59-5

MDL Number

MFCD00236223

Customs Code

2918990090

FAQ

What regulatory guidelines apply to 2-(Difluoromethoxy)benzoic acid (CAS: 97914-59-5)?

2-(Difluoromethoxy)benzoic acid (CAS: 97914-59-5) falls under the scope of various regulatory guidelines. It is classified according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a skin and eye irritant. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) and may require notification if used in quantities above certain thresholds. Additionally, the U.S. EPA may regulate it under the Toxic Substances Control Act (TSCA) and the FDA may have requirements related to its use in pharmaceuticals.

Are there alternatives to 2-(Difluoromethoxy)benzoic acid (CAS: 97914-59-5) in synthesis?

There are several alternatives to 2-(Difluoromethoxy)benzoic acid (CAS: 97914-59-5) in synthesis, depending on the specific application. Common substitutes include 2-(trifluoromethoxy)benzoic acid and 2-(methoxy)benzoic acid. These alternatives offer similar chemical functionalities but with different substituents, allowing for tailored synthesis approaches based on desired properties and reactivity.

What is the market or research trend for 2-(Difluoromethoxy)benzoic acid (CAS: 97914-59-5)?

The market for 2-(Difluoromethoxy)benzoic acid (CAS: 97914-59-5) is growing due to its use in pharmaceuticals and as a precursor in organic synthesis. Research trends are focusing on its application in drug discovery, particularly in the development of anticancer and antiviral agents. Additionally, its use in environmental remediation and as a fine chemical is also gaining interest, driven by the increasing demand for fluorinated compounds with specific biological activities.

How should waste containing 2-(Difluoromethoxy)benzoic acid (CAS: 97914-59-5) be handled?

Waste containing 2-(Difluoromethoxy)benzoic acid (CAS: 97914-59-5) should be collected and disposed of in accordance with local regulations. It is typically classified as a hazardous waste due to its potential toxicity. Proper handling includes neutralizing any acidic or basic components, and then safely incinerating or using a professional waste disposal service. Environmental precautions should be taken to prevent contamination of soil and water, and appropriate personal protective equipment (PPE) should be worn during handling and disposal.