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Sigma-Aldrich

3-Amino-5-bromobenzotrifluoride

97%

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About This Item

Linear Formula:
H2NC6H3(Br)CF3
CAS Number:
54962-75-3
Molecular Weight:
240.02
MDL number:
MFCD00236205
UNSPSC Code:
12352100
PubChem Substance ID:
24878425
NACRES:
NA.22

assay

97%

refractive index

n20/D 1.528 (lit.)

bp

220-223 °C (lit.)

density

1.697 g/mL at 25 °C (lit.)

SMILES string

Nc1cc(Br)cc(c1)C(F)(F)F

InChI

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

InChI key

HJTLKVYOWNTDPF-UHFFFAOYSA-N

Related Categories

Application

3-Amino-5-bromobenzotrifluoride may be used in the synthesis of 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Satoshi Ueda et al.
The Journal of organic chemistry, 77(5), 2543-2547 (2012-02-09)
A new biarylphosphine ligand, Me(3)(OMe)tBuXPhos (L3), was designed as a surrogate for Me(4)tBuXPhos (L1). The Me(3)(OMe)tBuXPhos could be prepared in a chromatography-free manner from inexpensive and readily available 2,3,6-trimethylphenol. Comparative studies demonstrated that a catalyst based on Me(3)(OMe)tBuXPhos displayed the

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