Cas no 827-20-3 (5-Fluoro-2-(trifluoromethyl)aniline)

5-Fluoro-2-(trifluoromethyl)aniline structure

827-20-3 structure

Product Name:5-Fluoro-2-(trifluoromethyl)aniline

CAS No:827-20-3

MF:C₇H₅F₄N

MW:179.11491560936

MDL:MFCD06660353

CID:83111

PubChem ID:17750836

Update Time:2025-07-29

5-Fluoro-2-(trifluoromethyl)aniline Chemical and Physical Properties

Names and Identifiers

- 5-Fluoro-2-(trifluoromethyl)aniline
- 2-AMINO-4-FLUOROBENZOTRIFLUORIDE
- 5-Fluoro-2-(trifluoromethyl)benzenamine (ACI)
- o-Toluidine, α,α,α,5-tetrafluoro- (7CI, 8CI)
- AM62109
- AKOS005064060
- 5-Fluoro-2-(trifluoromethyl)aniline, AldrichCPR
- DTXSID50590709
- SCHEMBL186087
- SY104136
- DS-12956
- AC-9659
- FT-0633001
- EN300-223598
- 5-Fluoro-2-trifluoromethylaniline
- CS-W017291
- Benzenamine, 5-fluoro-2-(trifluoromethyl)-
- LBSBTIMHMYAFFS-UHFFFAOYSA-N
- A19768
- MFCD06660353
- AC-16608
- 827-20-3
- DB-056652
- 5-Fluoro-2-trifluoromethylaniline;2-Amino-4-fluorobenzotrifluoride
- MDL： MFCD06660353
- Inchi： 1S/C7H5F4N/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H,12H2
- InChI Key： LBSBTIMHMYAFFS-UHFFFAOYSA-N
- SMILES： FC1C=C(N)C(C(F)(F)F)=CC=1

Computed Properties

Exact Mass: 179.03600
Monoisotopic Mass: 179.036
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 156
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
Surface Charge: 0
Tautomer Count: nothing
XLogP3: 2.2
Topological Polar Surface Area: 26A^2

Experimental Properties

Color/Form: Not determined
Density: 1.383±0.06 g/cm3 (20 oC 760 Torr),
Melting Point: 29-32℃
Boiling Point: 185.6±35.0 oC (760 Torr),
Flash Point: 74.4±16.4 oC,
Refractive Index: 1.46
Solubility: Very slightly soluble (0.27 g/l) (25 o C),
Water Partition Coefficient: Insoluble in water.
PSA: 26.02000
LogP: 3.00790
Solubility: Not determined

5-Fluoro-2-(trifluoromethyl)aniline Security Information

Symbol:
Signal Word：Danger
Hazard Statement： H311,H302,H332,H315,H319
Warning Statement： P261,P305
P351
P338,P361,P302
P352,P405,P501a
Hazardous Material Identification：
HazardClass：6.1

5-Fluoro-2-(trifluoromethyl)aniline Customs Data

HS CODE：2921420090
Customs Data：

China Customs Code:
2921420090

Overview:

2921420090 Other aniline derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

Declaration elements:

Product Name, component content, use to

Summary:

HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

5-Fluoro-2-(trifluoromethyl)aniline Pricemore >>

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5-Fluoro-2-(trifluoromethyl)aniline Production Method

Production Method 1

2926-29-6

119284-19-4

827-20-3

98-98-6

Reaction Conditions

1.1 Reagents: Potassium persulfate Catalysts: Copper bromide (CuBr) Solvents: Acetonitrile ; 12 h, 50 °C; 50 °C → rt
1.2 Reagents: Hydrochloric acid Solvents: Ethanol , Water ; 12 h, 100 °C; 100 °C → rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ; neutralized

Reference

Coordinating Activation Strategy-Induced Selective C-H Trifluoromethylation of Anilines

Xu, Jun; et al, ChemCatChem, 2018, 10(5), 965-970

Production Method 2

827-20-3

98-98-6

Reaction Conditions

1.1
Reagents:
Hydrochloric acid
Solvents:
Ethanol
,
Water
;
12 h, 100 °C; 100 °C → rt
1.2
Reagents:
Sodium bicarbonate
Solvents:
Water
;
neutralized

Reference

: ChemCatChem'Coordinating Activation Strategy-Induced Selective C-H Trifluoromethylation of Anilines' Xu, Jun; et al, 2018 , vol.10(5), # 4 p.965-970

5-Fluoro-2-(trifluoromethyl)aniline Raw materials

5-Fluoro-2-(trifluoromethyl)aniline Preparation Products

5-Fluoro-2-(trifluoromethyl)aniline Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:827-20-3)5-Fluoro-2-(trifluoromethyl)aniline

Order Number:A19768

Stock Status:in Stock

Quantity:25g

Purity:99%

Pricing Information Last Updated:Monday, 2 September 2024 16:01

Price ($):424.0

Email:[email protected]

Product Official Link

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Related Categories

Solvents and Organic Chemicals Organic Compounds Amines/Sulfonamides

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