Cas no 400-76-0 (4-amino-3-(trifluoromethyl)benzoic acid)
4-Amino-3-(trifluoromethyl)benzoic acid is a trifluoromethyl-substituted benzoic acid derivative with the molecular formula C8H6F3NO2. This compound features both an amino group (-NH2) and a carboxyl group (-COOH) on the benzene ring, along with a trifluoromethyl (-CF3) substituent, which enhances its electron-withdrawing properties and chemical stability. The presence of these functional groups makes it a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly for designing bioactive molecules. Its trifluoromethyl group improves lipophilicity and metabolic stability, while the amino and carboxyl groups allow for further derivatization. This compound is commonly used in the development of drugs, ligands, and specialty chemicals, offering precise reactivity for targeted applications.
400-76-0 structure
Product Name:4-amino-3-(trifluoromethyl)benzoic acid
CAS No:400-76-0
MF:C8H6F3NO2
MW:205.133952617645
MDL:MFCD03407960
CID:328386
PubChem ID:3254286
Update Time:2025-07-02
4-amino-3-(trifluoromethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid
- 4-Amino-5-trifluoromethylbenzoic Acid
- 4-Amino-3-(trifluoromethyl)benzoic acid
- 4-amino-3-trifluoromethylbenzioc acid
- 4-amino-3-trifluoromethylbenzoic acid
- 4-AMINO-5-TRIFLUOROMETHYLBENZOIC ACID,WHITE SOLID
- Benzoic acid,4-amino-3-(trifluoromethyl)-
- 3-Trifluoromethyl-4-Aminobenzoic Acid
- 4-amino-3-(trifluoromethyl) benzoic acid
- SY032187
- FT-0602439
- SCHEMBL498590
- 4-amino-3-trifluoromethylbenzoicacid
- 4-amino-3-(trifluoromethyl)benzoicacid
- EN300-109439
- DTXSID90390689
- MFCD03407960
- AC-3898
- 4-Amino-3-trifluoromethyl benzoic acid
- 400-76-0
- Benzoic acid, 4-amino-3-(trifluoromethyl)-
- CS-0157133
- CL8104
- GS-3525
- J-514344
- AKOS005255278
- 4-Amino-3-trifluoromethyl-benzoic acid
- AM84004
- SB77838
- DTXCID90341550
- 4-Amino-alpha,alpha,alpha-trifluoro-m-toluic Acid;
- DB-069937
- 4-amino-3-(trifluoromethyl)benzoic acid
-
- MDL： MFCD03407960
- Inchi： 1S/C8H6F3NO2/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h1-3H,12H2,(H,13,14)
- InChI Key： NPPPORJZPNJXNQ-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=O)O)C=CC=1N)(F)F
Computed Properties
- Exact Mass: 205.03500
- Monoisotopic Mass: 205.03506292g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 229
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- Density: 1.489
- Melting Point: 206-207 oC
- PSA: 63.32000
- LogP: 2.56700
- Sensitiveness: Air Sensitive
4-amino-3-(trifluoromethyl)benzoic acid Security Information
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Hazardous Material Identification：
- HazardClass：IRRITANT
4-amino-3-(trifluoromethyl)benzoic acid Customs Data
- HS CODE：2922499990
- Customs Data：
China Customs Code:
2922499990Overview:
2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
P.Imported animals and plants\Quarantine of animal and plant products
Q.Outbound animals and plants\Quarantine of animal and plant products
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
4-amino-3-(trifluoromethyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 045053-5g |
4-Amino-3-(trifluoromethyl)benzoic acid |
400-76-0 | 98% | 5g |
￡29.00 | 2022-03-01 | |
| Fluorochem | 045053-25g |
4-Amino-3-(trifluoromethyl)benzoic acid |
400-76-0 | 98% | 25g |
￡123.00 | 2022-03-01 | |
| Fluorochem | 045053-100g |
4-Amino-3-(trifluoromethyl)benzoic acid |
400-76-0 | 98% | 100g |
￡432.00 | 2022-03-01 | |
| Fluorochem | 045053-1g |
4-Amino-3-(trifluoromethyl)benzoic acid |
400-76-0 | 98% | 1g |
￡11.00 | 2022-03-01 | |
| Alichem | A013009249-250mg |
4-Amino-3-(trifluoromethyl)benzoic acid |
400-76-0 | 97% | 250mg |
$480.00 | 2023-09-02 | |
| Alichem | A013009249-500mg |
4-Amino-3-(trifluoromethyl)benzoic acid |
400-76-0 | 97% | 500mg |
$798.70 | 2023-09-02 | |
| Alichem | A013009249-1g |
4-Amino-3-(trifluoromethyl)benzoic acid |
400-76-0 | 97% | 1g |
$1475.10 | 2023-09-02 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | A858899-5g |
4-Amino-3-(Trifluoromethyl)Benzoic Acid |
400-76-0 | ≥97% | 5g |
￥508.50 | 2022-09-29 | |
| Matrix Scientific | 011141-1g |
4-Amino-3-(trifluoromethyl)benzoic acid, 98% |
400-76-0 | 98% | 1g |
$12.00 | 2023-09-11 | |
| Matrix Scientific | 011141-25g |
4-Amino-3-(trifluoromethyl)benzoic acid, 98% |
400-76-0 | 98% | 25g |
$105.00 | 2023-09-11 |
4-amino-3-(trifluoromethyl)benzoic acid Related Literature
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1. Structure and dynamics of a new phase of anthraceneCarlo M. Gramaccioli,Giuseppe Filippini,Massimo Simonetta,Subramaniam Ramdas,Gordon M. Parkinson,John M. Thomas J. Chem. Soc. Faraday Trans. 2 1980 76 1336
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2. Synthesis and properties of tetrazolium N-phenacylidesDietrich Moderhack,Adalbert Lembcke J. Chem. Soc. Perkin Trans. 1 1986 1157
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3. Synthesis and properties of tetrazolium N-phenacylidesDietrich Moderhack,Adalbert Lembcke J. Chem. Soc. Perkin Trans. 1 1986 1157
Related Categories
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Aminobenzoic acids and derivatives
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aminobenzoic acids and derivatives
- Solvents and Organic Chemicals Organic Compounds cyanides/Cyanides
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