233234
3-Chloro-4-fluoronitrobenzene
98%
Synonym(s):
2-Chloro-1-fluoro-4-nitrobenzene
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About This Item
Linear Formula:
ClC6H3(F)NO2
CAS Number:
Molecular Weight:
175.54
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
98%
form
solid
mp
40-42 °C (lit.)
SMILES string
[O-][N+](=O)c1ccc(F)c(Cl)c1
InChI
1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChI key
DPHCXXYPSYMICK-UHFFFAOYSA-N
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General description
2-Chloro-1-fluoro-4-nitrobenzene undergoes reduction in the presence of Mo(CO)6 and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) under microwave irradiation to yield a mixture of 3-chloro-4-fluoroaniline and 3-chloro-4-ethoxyaniline.
Application
2-Chloro-1-fluoro-4-nitrobenzene has been used in synthesis of:
- benzoimidolones on Ameba resin
- methyl 6,7,8,9-tetrahydropyrido[1,2-a]indol-10-ylacetate
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
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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Microwave mediated reduction of heterocycle and fluorine containing nitroaromatics with Mo (CO)6 and DBU.
Spencer J, et al.
Tetrahedron, 64(44), 10195-10200 (2008)
Practical and efficient synthesis of N-fused tricyclic indoles.
Koay N, et al.
Tetrahedron Letters, 52(1), 122-124 (2011)
Microwave-assisted traceless synthesis of benzimidazolones.
Xu X-J and Zong Y-X.
Tetrahedron Letters, 48(1), 129-132 (2007)
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