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About This Item
Empirical Formula (Hill Notation):
C6H3BrF3N
CAS Number:
Molecular Weight:
225.99
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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Assay
97%
form
solid
mp
41-45 °C
functional group
bromo
fluoro
SMILES string
FC(F)(F)c1ccc(Br)cn1
InChI
1S/C6H3BrF3N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-3H
InChI key
RPFAUCIXZGMCFN-UHFFFAOYSA-N
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Application
Regioselective C-4 deprotonation with LDA and trapping with carbon dioxide leads to the corresponding C-4 acid.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
WGK
WGK 3
Flash Point(F)
172.4 °F - closed cup
Flash Point(C)
78 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Synthesis, 1619-1619 (2004)
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