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About This Item
線性公式:
ClC6H2(OH)(NO2)COCH3
CAS號碼:
分子量::
215.59
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22
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推薦產品
化驗
99%
mp
132-135 °C (lit.)
官能基
chloro
ketone
nitro
SMILES 字串
CC(=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
InChI
1S/C8H6ClNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
InChI 密鑰
IUNBIQBAYUBIFD-UHFFFAOYSA-N
一般說明
5′-Chloro-2′-hydroxy-3′-nitroacetophenone (5-chloro-3-nitro-2-hydroxyacetophenone) is a nitro derivative of ortho-hydroxy aryl ketone. Its crystal structure has been studied by X-ray diffraction. It forms complex with 2-aminobenzoic acid (anthranilic acid), in which the nitro group is turned by approximately 40°C.[1]
應用
5′-Chloro-2′-hydroxy-3′-nitroacetophenone may be used for the synthesis of 6-chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde.[2]
訊號詞
Warning
危險聲明
危險分類
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
標靶器官
Respiratory system
儲存類別代碼
11 - Combustible Solids
水污染物質分類(WGK)
WGK 3
閃點(°F)
Not applicable
閃點(°C)
Not applicable
個人防護裝備
dust mask type N95 (US), Eyeshields, Gloves
Yoshinobu Ishikawa
Acta crystallographica. Section E, Structure reports online, 70(Pt 5), o547-o547 (2014-05-27)
In the title compound, C10H4ClNO5, the non-H atoms of the 6-chloro-chromone unit are coplanar (r.m.s. deviation = 0.017 Å) with the largest deviation from the mean plane [0.031 (2) Å] being found for the C=O C atom. The nitro group (NO2) is inclined
Phase transition and intramolecular hydrogen bonding in nitro derivatives of ortho-hydroxy acetophenones
Filarowski, A., et al.
Journal of Molecular Structure, 785(1), 7-13 (2006)
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