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A10000

丙酮氰醇

Name: 丙酮氰醇
Brand: ALDRICH

99%

别名:

α-羟基异丁腈, 2-羟基异丁腈

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关于此项目

线性分子式:

(CH₃)₂C(OH)CN

化学文摘社编号:

75-86-5

分子量:

85.10

UNSPSC Code:

12352100

NACRES:

NA.02

PubChem Substance ID:

24890489

EC Number:

200-909-4

Beilstein/REAXYS Number:

605391

MDL number:

MFCD00004455

Assay:

99%

Form:

liquid

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属性

vapor pressure

0.3 psi ( 20 °C)

Quality Level

200

assay

99%

form

liquid

contains

H₃PO₄ as stabilizer (Europe), sulfuric acid as stabilizer (US)

expl. lim.

11 %

refractive index

n20/D 1.399 (lit.)

bp

82 °C/23 mmHg (lit.)

mp

−19 °C (lit.)

density

0.932 g/mL at 25 °C (lit.)

SMILES string

CC(C)(O)C#N

InChI

1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3

InChI key

MWFMGBPGAXYFAR-UHFFFAOYSA-N

说明

General description

丙酮氰醇可用作Mitsunobu 反应中的氢氰酸源。也是甲基丙烯酰胺合成的中间体。

Application

丙酮氰醇可用作以下反应的氰化物来源：

芳基卤化物、醛类和酒精的氰化反应。
立体特异性环氧化物开环反应。
α-酰胺基砜的Strecker 反应，以合成 α-氨基腈。

pictograms

GHS06,GHS09

signalword

Danger

hcodes

H300 + H310 + H330,H410

pcodes

P262 - P264 - P273 - P280 - P302 + P352 + P310 - P304 + P340 + P310

Hazard Classifications

Acute Tox. 1 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Aquatic Acute 1 - Aquatic Chronic 1

存储类别

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

167.0 °F - closed cup

flash_point_c

75 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

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历史批次信息供参考:

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Mechanistic aspects of cyanogenesis from active-site mutant Ser80Ala of hydroxynitrile lyase from Manihot esculenta in complex with acetone cyanohydrin.

H Lauble et al.

Protein science : a publication of the Protein Society, 10(5), 1015-1022 (2001-04-24)

The structure and function of hydroxynitrile lyase from Manihot esculenta (MeHNL) have been analyzed by X-ray crystallography and site-directed mutagenesis. The crystal structure of the MeHNL-S80A mutant enzyme has been refined to an R-factor of 18.0% against diffraction data to

Regiospecific opening of 1, 2-expoxides with acetone cyanohydrin under mildly basic conditions.

Mitchell D and Koenig TM

Tetrahedron Letters, 33(23), 3281-3284 (1992)

Evaluation of acetone cyanohydrin effect in 'in vitro' inativation of the Ehrlich ascites tumor cells.

Rondon Tosta Ramalho et al.

Acta cirurgica brasileira, 25(1), 111-116 (2010-02-04)

To evaluate the antitumor effect of acetone cyanohydrin in Ehrlich ascites tumor cells in vitro. The Ehrlich ascites tumor cells and lymphocytes were incubated with different concentrations of acetone cyanohydrin (0, 0.5, 1.0, 2.0, 10.0, 20.0 and 30.0 microg x

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