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About This Item
Linear Formula:
BrC6H4(F)CHO
CAS Number:
Molecular Weight:
203.01
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
96%
mp
51-56 °C (lit.)
functional group
aldehyde
bromo
fluoro
storage temp.
2-8°C
SMILES string
Fc1ccc(Br)c(C=O)c1
InChI
1S/C7H4BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H
InChI key
CJUCIKJLMFVWIS-UHFFFAOYSA-N
General description
2-Bromo-5-fluorobenzaldehyde can be prepared by reacting 2-bromo-5-fluorotoluene with N-bromosuccinimide. Its crystals exhibit monoclinic crystal system and space group P21/c.
Application
2-Bromo-5-fluorobenzaldehyde may be used in the synthesis of dihydrobenzoxaboroles bearing aryl, heteroaryl or vinyl substituents at the 1-position and 5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
No data available
Flash Point(C)
No data available
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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In the crystal structure of the title compound, C(7)H(6)BFO(2), a broad-spectrum anti-fungal drug (AN2690), the planar [maximum deviation 0.035 (1) Å] mol-ecules form centrosymmetric R(2) (2)(8) dimers via strong O-H⋯O hydrogen bonds. The dimers are arranged into layers by weak inter-molecular C-H⋯O
2-Bromo-5-fluorobenzaldehyde.
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Acta Crystallographica Section E, Structure Reports Online, 69(8), o1246-o1246 (2013)
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