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Key Documents

528978

Sigma-Aldrich

2-溴-5-氟苯甲醛

96%

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About This Item

線性公式:
BrC6H4(F)CHO
CAS號碼:
分子量::
203.01
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

96%

mp

51-56 °C (lit.)

官能基

aldehyde
bromo
fluoro

儲存溫度

2-8°C

SMILES 字串

Fc1ccc(Br)c(C=O)c1

InChI

1S/C7H4BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H

InChI 密鑰

CJUCIKJLMFVWIS-UHFFFAOYSA-N

相關類別

一般說明

2-溴-5-氟苯甲醛可以通过 2-溴-5-氟甲苯与 N-溴代琥珀酰亚胺反应制备而成。其晶体呈现单斜晶系和空间群 P21/c

應用

2-溴-5-氟苯甲醛可用于合成在 1-位带有芳基、杂芳基或乙烯基取代基的二氢苯并恶硼和 5-氟-1,3-二氢-1-羟基-2,1-苯并恶硼。

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 3

閃點(°F)

No data available

閃點(°C)

No data available

個人防護裝備

Eyeshields, Gloves, type N95 (US)


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Stephen J Baker et al.
Journal of medicinal chemistry, 49(15), 4447-4450 (2006-07-21)
A structure-activity relationship investigation for a more efficacious therapy to treat onychomycosis, a fungal infection of the toe and fingernails, led to the discovery of a boron-containing small molecule, 5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole (AN2690), which is currently in clinical trials for onychomycosis topical
2-Bromo-5-fluorobenzaldehyde.
Tureski RE and Tanski JM.
Acta Crystallographica Section E, Structure Reports Online, 69(8), o1246-o1246 (2013)
Nuclear spin-spin coupling via nonbonded interactions. 4. Fluorine-fluorine and hydrogen-fluorine coupling in substituted benzo [c] phenanthrenes.
Mallory FB, et al.
The Journal of Organic Chemistry, 50(4), 457-461 (1985)
Izabela D Madura et al.
Acta crystallographica. Section E, Structure reports online, 67(Pt 2), o414-o415 (2011-04-28)
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

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