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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:
NACRES:
NA.22
Quality Level
Assay
97%
refractive index
n20/D 1.478
bp
84-85 °C/14 mmHg
density
1.827 g/mL at 25 °C
SMILES string
FC(F)(F)c1ccnc(Br)c1
InChI
1S/C6H3BrF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H
InChI key
WZVHLUMAQLUNTJ-UHFFFAOYSA-N
Application
Regioselective deprotonation at C-3 with LDA followed by trapping with carbon dioxide provides the correspondin nicotinic 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
WGK
WGK 3
Flash Point(F)
163.4 °F
Flash Point(C)
73 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Synthesis, 1619-1619 (2004)
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