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Merck

136883

Sigma-Aldrich

4-甲基-3,5-二硝基苯甲酸

98%

别名:

3,5-二硝基-4-甲基苯甲酸, 3,5-二硝基对甲基苯甲酸

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About This Item

线性分子式:
(O2N)2C6H2(CH3)CO2H
CAS号:
分子量:
226.14
Beilstein:
2507949
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

98%

形狀

solid

mp

155-158 °C (lit.)

溶解度

methanol: soluble 250 mg/10 mL, clear, faintly yellow to yellow

官能基

carboxylic acid
nitro

SMILES 字串

Cc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O

InChI

1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)

InChI 密鑰

LZWWZQXBKVZKIP-UHFFFAOYSA-N

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應用

4-Methyl-3,5-dinitrobenzoic acid was used in characterization of the range of highly polar nitroaromatic compounds in water samples from a trinitrotoluene-contaminated waste disposal site. It was used as starting reagent for the asymmetric synthesis of the benzazocine core of FR900482.

象形圖

Exclamation mark

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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分析证书(COA)

Lot/Batch Number

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Alfred Preiss et al.
Analytical and bioanalytical chemistry, 389(6), 1979-1988 (2007-10-12)
Leachate and ground water samples from a trinitrotoluene-contaminated waste disposal site near a former ammunitions plant in Stadtallendorf, Germany, were analyzed by liquid chromatography (LC)-mass spectrometry (MS) and LC-NMR hyphenated techniques to comprehensively characterize the range of highly polar nitroaromatic
Barry M Trost et al.
Organic letters, 6(11), 1745-1748 (2004-05-21)
An asymmetric synthesis of the benzazocine core of FR900482 has been achieved in 15 steps from 3,5-dinitro-p-toluic acid. Key features of the synthesis include an enantioselective N-methylephedrine-mediated zinc acetylide addition to a highly enolizable arylacetaldehyde and a novel Pd-catalyzed carbonylative

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