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217867

Sigma-Aldrich

2-Bromo-5-(trifluoromethyl)aniline

97%

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About This Item

Linear Formula:
BrC6H3(CF3)NH2
CAS Number:
454-79-5
Molecular Weight:
240.02
EC Number:
207-227-6
MDL number:
MFCD00007637
UNSPSC Code:
12352100
PubChem Substance ID:
24853035
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.522 (lit.)

density

1.675 g/mL at 25 °C (lit.)

functional group

bromo
fluoro

SMILES string

Nc1cc(ccc1Br)C(F)(F)F

InChI

1S/C7H5BrF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2

InChI key

PZDVFXUBTKPFSG-UHFFFAOYSA-N

Related Categories

Application

2-Bromo-5-(trifluoromethyl)aniline was used in the synthesis and biochemical evaluation of series of inhibitors of hepatitis C virus (HCV) NS3 protease.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

217867-5G:
217867-VAR:
217867-1G:
217867-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBK2630V
MKBJ7331V
MKBF7671V
MKBB0380
05720PH

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Robert Rönn et al.
Bioorganic & medicinal chemistry, 16(6), 2955-2967 (2008-01-16)
Inhibition of the hepatitis C virus (HCV) NS3 protease has emerged as an attractive approach to defeat the global hepatitis C epidemic. In this work, we present the synthesis and biochemical evaluation of HCV NS3 protease inhibitors comprising a non-natural

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