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Key Documents

146641

Sigma-Aldrich

3-硝基-2-丁醇,异构体混合物

98%

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About This Item

線性公式:
CH3CH(NO2)CH(OH)CH3
CAS號碼:
分子量::
119.12
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

liquid

折射率

n20/D 1.441 (lit.)

bp

55 °C/0.5 mmHg (lit.)

密度

1.1 g/mL at 25 °C (lit.)

官能基

amine
hydroxyl
nitro

SMILES 字串

CC(O)C(C)[N+]([O-])=O

InChI

1S/C4H9NO3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3

InChI 密鑰

OJVOGABFNZDOOZ-UHFFFAOYSA-N

一般說明

3-Nitro-2-butanol undergoes oxidation catalyzed by nitroalkane oxidase enzyme isolated from extracts of Fusarium oxysporum.

應用

3-Nitro-2-butanol was used to study the mechanism of oxidation of methylethylketoxime and acetoxime in the liver microsomes from rats, mice and humans.

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

10 - Combustible liquids

水污染物質分類(WGK)

WGK 3

閃點(°F)

195.8 °F - closed cup

閃點(°C)

91 °C - closed cup

個人防護裝備

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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分析證明 (COA)

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T Kido et al.
Journal of bacteriology, 133(1), 53-58 (1978-01-01)
A nitroalkane-oxidizing enzyme, which was inducibly formed by addition of nitroethane to the medium was purified to homogeneity from an extract of Fusarium oxysporum (IFO 5942) with an overall yield of about 20%. The enzyme catalyzed the oxidative denitrification of
W Völkel et al.
Toxicological sciences : an official journal of the Society of Toxicology, 47(2), 144-150 (1999-04-30)
Acetoxime and methylethyl ketoxime (MEKO) are tumorigenic in rodents, inducing liver tumors in male animals. The mechanisms of tumorigenicity for these compounds are not well defined. Oxidation of the oximes to nitronates of secondary-nitroalkanes, which are mutagenic and tumorigenic in

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