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Sigma-Aldrich

4-Bromo-3-nitrobenzotrifluoride

97%

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About This Item

Linear Formula:
BrC6H3(NO2)CF3
CAS Number:
349-03-1
Molecular Weight:
270.00
MDL number:
MFCD00014685
UNSPSC Code:
12352100
PubChem Substance ID:
24862574
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.511 (lit.)

density

1.763 g/mL at 25 °C (lit.)

SMILES string

[O-][N+](=O)c1cc(ccc1Br)C(F)(F)F

InChI

1S/C7H3BrF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H

InChI key

PESPBNYBZVIGRO-UHFFFAOYSA-N

General description

4-Bromo-3-nitrobenzotrifluoride is an organic building block.

Application

4-Bromo-3-nitrobenzotrifluoride may be used to prepare polysubstituted bisheterocycles with potential chemotherapeutic properties.

Storage Class Code

10 - Combustible liquids

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

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Certificates of Analysis (COA)

Lot/Batch Number
1446214V
1446214
MKAA1360
07528CH
U21004

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Journal of Heterocyclic Chemistry, 27, 351-351 (1990)

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