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253731

Sigma-Aldrich

异硫氰酸苯乙酯

99%

别名:

2-苯基乙基异硫代氰酸酯

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About This Item

线性分子式:
C6H5CH2CH2NCS
CAS号:
2257-09-2
分子量:
163.24
Beilstein:
2084162
EC 号:
218-855-5
MDL编号:
MFCD00004821
UNSPSC代码:
12352100
PubChem化学物质编号:
24855324
NACRES:
NA.22

质量水平

100

方案

99%

表单

liquid

折射率

n20/D 1.5888 (lit.)

沸点

139-140 °C/11 mmHg (lit.)

密度

1.094 g/mL at 25 °C (lit.)

官能团

amine
isothiocyanate
phenyl

储存温度

2-8°C

SMILES字符串

S=C=NCCc1ccccc1

InChI

1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

InChI key

IZJDOKYDEWTZSO-UHFFFAOYSA-N

基因信息

human ... CYP1A2(1544)

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相关类别

一般描述

异硫氰酸苯乙酯是十字花科蔬菜中天然存在的异硫氰酸苯乙酯。异硫氰酸苯乙酯是一种化学预防剂 。在各种人类癌细胞模型中通过阻滞细胞周期、诱导细胞凋亡而抑制癌细胞生长 。

象形图

Health hazardExclamation mark
GHS08,GHS07

警示用语：

Danger

危险分类

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

靶器官

Respiratory system

储存分类代码

10 - Combustible liquids

WGK

WGK 3

闪点(°F)

235.4 °F - closed cup

闪点(°C)

113 °C - closed cup

个人防护装备

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

从最新的版本中选择一种：

分析证书(COA)

Lot/Batch Number
SHBS3522
SHBP4762
SHBP3356
SHBM9432
SHBL9110

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  1. Which document(s) contains shelf-life or expiration date information for a given product?

    If available for a given product, the recommended re-test date or the expiration date can be found on the Certificate of Analysis.

  2. How do I get lot-specific information or a Certificate of Analysis?

    The lot specific COA document can be found by entering the lot number above under the "Documents" section.

  3. How do I find price and availability?

    There are several ways to find pricing and availability for our products. Once you log onto our website, you will find the price and availability displayed on the product detail page. You can contact any of our Customer Sales and Service offices to receive a quote.  USA customers:  1-800-325-3010 or view local office numbers.

  4. What is the Department of Transportation shipping information for this product?

    Transportation information can be found in Section 14 of the product's (M)SDS.To access the shipping information for this material, use the link on the product detail page for the product. 

  5. What is the molarity of Product 253731, Phenethyl isothiocyanate?

    Product 253731, Phenethyl isothiocyanate, is a neat liquid rather than a solution. The apparent molarity may be calculated by dividing the density by the molecular weight. Using a density of 1.094 g/ml, or 1094 g/L and molecular weight of 163.24 g/mole, the molarity is 6.70 moles/L.

  6. My question is not addressed here, how can I contact Technical Service for assistance?

    Ask a Scientist here.

Yating Wang et al.
Molecular medicine reports, 10(1), 543-549 (2014-05-03)
Phenethyl isothiocyanate (PEITC), a potential cancer chemopreventive constituent of cruciferous vegetables, including watercress, has been reported to inhibit cancer cell growth by arresting the cell cycle and inducing apoptosis in various human cancer cell models. However, the role of PEITC
Marilyn E Morris et al.
The AAPS journal, 16(4), 705-713 (2014-05-14)
Phenethyl isothiocyanate (PEITC)-a naturally occurring isothiocyanate in cruciferous vegetables-has been extensively studied as a chemopreventive agent in several preclinical species and in humans. Pharmacokinetic features of unchanged PEITC are (I) linear and first-order absorption, (II) high protein binding and capacity-limited
Parul Gupta et al.
BMC medicine, 10, 80-80 (2012-07-25)
HER2 is an oncogene, expression of which leads to poor prognosis in 30% of breast cancer patients. Although trastuzumab is apparently an effective therapy against HER2-positive tumors, its systemic toxicity and resistance in the majority of patients restricts its applicability.
Ka Lung Cheung et al.
The AAPS journal, 12(1), 87-97 (2009-12-17)
Development of cancer is a long-term and multistep process which comprises initiation, progression, and promotion stages of carcinogenesis. Conceivably, it can be targeted and interrupted along these different stages. In this context, many naturally occurring dietary compounds from our daily
L D Huong et al.
Oral diseases, 18(5), 513-519 (2012-02-09)
β-Phenylethyl isothiocyanate (PEITC) has been demonstrated to fight many types of cancers through various molecular pathways. In this study, we focused on its effect on the induction of apoptosis to inhibit cell growth and molecular mechanism in oral cancer. 3-(4,5-dimethylthiazol-2-yl)-5-(2,4-disulfophenyl)-2-(4
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