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Merck
CN

78780

异硫氰酸苯酯

for HPLC derivatization, the detection of alcohols and amines, ≥99.0%

别名:

PITC

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关于此项目

线性分子式:
C6H5NCS
化学文摘社编号:
分子量:
135.19
UNSPSC Code:
12352100
NACRES:
NA.21
PubChem Substance ID:
EC Number:
203-138-1
Beilstein/REAXYS Number:
471392
MDL number:
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产品名称

异硫氰酸苯酯, for HPLC derivatization, the detection of alcohols and amines, ≥99.0%

form

liquid

assay

≥99.0%

InChI key

QKFJKGMPGYROCL-UHFFFAOYSA-N

InChI

1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H

SMILES string

S=C=Nc1ccccc1

quality

for HPLC derivatization, the detection of alcohols and amines

refractive index

n20/D 1.649
n20/D 1.6515 (lit.)

bp

218 °C (lit.)

mp

−21 °C (lit.)

solubility

water: insoluble

density

1.13 g/mL at 20 °C
1.132 g/mL at 20 °C (lit.)

storage temp.

2-8°C

Quality Level

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Disclaimer

在氩气下存放

Application

异硫氰酸苯酯可用作衍生化试剂,用于体液中各种苯丙胺衍生物的高效液相色谱(HPLC)分析。
用于伯胺和仲胺的衍生化试剂。用于通过 Edman 降解法进行多肽测序以及通过 HPLC 进行氨基酸分析。

General description

异硫氰酸苯酯是芳香族异硫氰酸酯。 它参与醇的脱水反应。它被广泛用于合成各种生物学上重要的杂环化合物。

Other Notes

发现用于 HPLC LC-MS 分析的理想LiChropur 试剂

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

存储类别

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

wgk

WGK 3

flash_point_f

190.4 °F - closed cup

flash_point_c

88 °C - closed cup

ppe

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

法规信息

危险化学品
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Determination of phenylisothiocyanate derivatives of amphetamine and its analogues in biological fluids by HPLC-APCI-MS or DAD.
Bogusz MJ, et al.
Journal of Analytical Toxicology, 21(1), 59-69 (1997)
Amin Zolali et al.
Combinatorial chemistry & high throughput screening, 17(7), 610-613 (2014-03-19)
An efficient, one-pot and three-component synthesis of biologically important heterocyclic compounds is described from the reaction of primary amines and phenyl isothiocyanate in the presence of acryloyl chloride at room temperature without the need to use any catalyst.
One-pot dehydrations using phenyl isothiocyanate.
Majetich G, et al.
Tetrahedron Letters, 56(23), 3326-3329 (2015)
Misako Aito-Inoue et al.
Journal of agricultural and food chemistry, 54(15), 5261-5266 (2006-07-20)
For the isolation and detection of food-derived peptides in blood, an approach based on the derivatization of peptides with phenyl isothiocyanate (PITC) was developed. This approach allows hydrophilic peptides to be resolved and specifically detected by reversed-phase (RP) HPLC. For
Fantao Meng et al.
Bioconjugate chemistry, 19(7), 1352-1360 (2008-06-25)
Successful and cost-effective PEGylation protocols require pure functionalized PEG reagents, which can be synthesized by simple and efficient procedures, exhibit high stability against hydrolysis, and maintain a level of reactivity with protein functional groups under mild reaction conditions. PEG-phenyl-isothiocyanate (PIT-PEG)

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