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Merck
CN

146641

Sigma-Aldrich

3-硝基-2-丁醇,异构体混合物

98%

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关于此项目

线性分子式:
CH3CH(NO2)CH(OH)CH3
化学文摘社编号:
分子量:
119.12
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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质量水平

方案

98%

表单

liquid

折射率

n20/D 1.441 (lit.)

沸点

55 °C/0.5 mmHg (lit.)

密度

1.1 g/mL at 25 °C (lit.)

官能团

amine
hydroxyl
nitro

SMILES字符串

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

InChI

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

InChI key

OJVOGABFNZDOOZ-UHFFFAOYSA-N

一般描述

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

应用

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.

象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

储存分类代码

10 - Combustible liquids

WGK

WGK 3

闪点(°F)

195.8 °F - closed cup

闪点(°C)

91 °C - closed cup

个人防护装备

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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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