CAS 328-93-8|2,5-bis(trifluoromethyl)aniline|2,5-bis(trifluoromethyl)aniline|2,5-Bis(trifluoromethyl)aniline|2,5-Di(trifluoromethyl)aniline|2,5-双(三氟甲基)苯胺|2,5-Bis(trifluoromethyl)aniline|α,α,...

InChI=1S/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2

XWMVIJUAZAEWIE-UHFFFAOYSA-N

Nc1cc(ccc1C(F)(F)F)C(F)(F)F

C(F)(F)(F)c1cc(N)c(cc1)C(F)(F)F

Acid pKa

19.955044

H Acceptors

H Donor

LogD (pH = 5.5)

2.8999841

LogD (pH = 7.4)

2.9000163

Log P

2.9000168

Molar Refractivity

42.7058

Polarizability

14.363095

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

2,5-bis(trifluoromethyl)aniline

IUPAC Traditional name

2,5-bis(trifluoromethyl)aniline

2,5-Bis(trifluoromethyl)aniline2,5-Di(trifluoromethyl)aniline2,5-双(三氟甲基)苯胺2,5-Bis(trifluoromethyl)anilineα,α,α,α',α',α'-Hexafluoro-2,5-xylidine2,5-Bis(trifluoromethyl)benzenamine2,5-ditrifluoromethylaniline2,5-Bis(trifluoromethyl)aniline 98%1-Amino-2,5-bis(trifluoromethyl)benzene2,5-二(三氟甲基)苯胺

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331546

Packaging
1, 5 g in glass bottle

B585490

2,5-Bis(trifluoromethyl)aniline is a haloalkul substituted aniline used in the preparation of anti-benign prostatic hyperplasia drug, Dutasteride (D735000).

• Liang, Y. et al.: Jil. Dax. Xueb. Lixeub., 45, 1035 (2007)

Names and Identifiers

IUPAC name

2,5-bis(trifluoromethyl)aniline

IUPAC Traditional name

2,5-bis(trifluoromethyl)aniline

Synonyms

Registration numbers

CAS Number

Beilstein Number

MDL Number

PubChem CID

PubChem SID

1609728492484921924859973

Molecule Details

Sigma Aldrich

331546

Packaging
1, 5 g in glass bottle

TRC

B585490

2,5-Bis(trifluoromethyl)aniline is a haloalkul substituted aniline used in the preparation of anti-benign prostatic hyperplasia drug, Dutasteride (D735000).

References

PubChem Literature

From Data Sources

• Liang, Y. et al.: Jil. Dax. Xueb. Lixeub., 45, 1035 (2007)

Bioactivity

PubChem BioAssay

GHS Signal Word

Warning

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

GHS Hazard statements

H302-H312-H315-H319-H332-H335

H331-H302-H312-H315-H319-H373-H227

European Hazard Symbols

Harmful (Xn)

Harmful (X)

GHS Precautionary statements

P261-P280-P305+P351+P338

P210-P260-P305+P351+P338-P302+P352-P405-P501A

German water hazard class

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Risk Statements

20/21/22-36/37/38

20/21/22-33-36/38

Safety Statements

26-36/37/39-45

26-36/37

Hazard Class

6.1

UN Number

UN2810

Packing Group

III

Certificate of Analysis

Molecule

ID:9542