2-Amino-4-(trifluoromethyl)benzoic acid

Basic Information

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CAS Number

402-13-1

Molecular Formula

C8H6F3NO2

Molecular Weight

205.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

175°C

Boiling Point

296°C at 760 mmHg

Density

1.489

Flash Point

132.8 °C

SMILES

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C1=CC(=C(C=C1C(F)(F)F)N)C(=O)O

InChI

InChI=1S/C8H6F3NO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14)

InChIKey

NQTLZJODEOHALT-UHFFFAOYSA-N

LogP

1.9858

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

229

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive

Synonyms & References

English

DTXSID30193191
SCHEMBL955863
A824983
CS-W007507
EINECS 206-937-3
4-trifluoromethyl-anthranilic acid
2-amino-4-trifluoromethyl benzoic acid
HMS1412L11
W-106378
4-trifluoromethylanthranilic acid
AKOS001013585
IDI1_008472
InChI=1/C8H6F3NO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14
CBDivE_012459
4-(Trifluoromethyl)anthranilic acid
4-Carboxy-alpha,alpha,alpha-trifluoro-m-toluidine
PS-8110
2-Amino-4-(trifluoromethyl)benzoicacid
2-amino-4-trifluoromethyl-benzoic acid
CK1069
MFCD00519334
NS00042726
benzoic acid, 2-amino-4-(trifluoromethyl)-
AB00075927-01
SB77428
2-amino-4-trifluoromethylbenzoic acid
2-Amino-4-(trifluoromethyl)benzoic acid, AldrichCPR
4-trifluoromethyl anthranilic acid
402-13-1
2-amino-4-(trifluoromethyl)benzoic acid
SMR000017327

MDL Number

MFCD00519334

Customs Code

2922499990

FAQ

What regulatory guidelines apply to 2-Amino-4-(trifluoromethyl)benzoic acid (CAS: 402-13-1)?

2-Amino-4-(trifluoromethyl)benzoic acid (CAS: 402-13-1) falls under various regulatory guidelines. It is classified under GHS (Globally Harmonized System of Classification and Labeling of Chemicals) as a skin and eye irritant. For European markets, it is subject to REACH regulations, requiring documentation of safety data sheets (SDS) and registration if the substance is manufactured or imported in quantities above 1 tonne per year. In the United States, the EPA and FDA have specific requirements for its handling and use in pharmaceutical and industrial applications.

Are there alternatives to 2-Amino-4-(trifluoromethyl)benzoic acid (CAS: 402-13-1) in synthesis?

In synthesis, 2-Amino-4-(trifluoromethyl)benzoic acid (CAS: 402-13-1) is often used as a key intermediate in the production of pharmaceuticals. Alternatives include using 2-Amino-4-(methylthio)benzoic acid or 2-Amino-4-(methoxy)benzoic acid, which have similar functional groups but different substituents. These alternatives can be considered based on the desired properties and cost-effectiveness of the final product.

What is the market or research trend for 2-Amino-4-(trifluoromethyl)benzoic acid (CAS: 402-13-1)?

The market for 2-Amino-4-(trifluoromethyl)benzoic acid (CAS: 402-13-1) is driven by its applications in pharmaceuticals, particularly in the development of anti-inflammatory and immunosuppressive drugs. Research trends indicate a growing focus on its use as a precursor in the synthesis of novel drugs. Market trends show steady demand, influenced by ongoing pharmaceutical R&D and increasing regulatory scrutiny to ensure safety and efficacy.

How should waste containing 2-Amino-4-(trifluoromethyl)benzoic acid (CAS: 402-13-1) be handled?

Waste containing 2-Amino-4-(trifluoromethyl)benzoic acid (CAS: 402-13-1) should be managed according to local and international environmental regulations. Collect waste liquids in appropriate containers and ensure they are neutralized before disposal. For solid waste, incineration is a common method, but professional waste disposal services should be utilized to ensure compliance. Implement proper personal protective equipment (PPE) and follow safety protocols to prevent environmental contamination and ensure worker safety.