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Merck
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重要文件

415774

Sigma-Aldrich

5′-氯-2′-羟基-3′-硝基苯乙酮

99%

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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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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]

象形圖

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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


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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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