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99960-09-5 Usage

General Description

2-Ethoxycarbonylphenyl isothiocyanate is a chemical compound with the molecular formula C11H9NO2S. It is commonly used in organic synthesis as a building block for the preparation of various biologically active molecules. 2-ETHOXYCARBONYLPHENYL ISOTHIOCYANATE is known for its ability to react with amines and amino acids, forming thiourea derivatives, which have been studied for their potential antimicrobial and antifungal properties. 2-Ethoxycarbonylphenyl isothiocyanate is also used in the development of pharmaceuticals and agrochemicals, as well as in the creation of fluorescent dyes and polymers. It is important to handle this compound with care, as it is a skin and eye irritant, and proper safety precautions should be taken when working with it.

Check Digit Verification of cas no

The CAS Registry Mumber 99960-09-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,9,9,6 and 0 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 99960-09:
195 % 10 = 5
So 99960-09-5 is a valid CAS Registry Number.

99960-09-5 Well-known Company Product Price

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  • Alfa Aesar

  • (L12569)  2-(Ethoxycarbonyl)phenyl isothiocyanate, 98+%   

  • 99960-09-5

  • 1g

  • 509.0CNY

  • Detail
  • Alfa Aesar

  • (L12569)  2-(Ethoxycarbonyl)phenyl isothiocyanate, 98+%   

  • 99960-09-5

  • 5g

  • 1698.0CNY

  • Detail



According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017


1.1 GHS Product identifier

Product name 2-(Ethoxycarbonyl)phenyl isothiocyanate

1.2 Other means of identification

Product number -
Other names ethyl 2-isothiocyanatobenzoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:99960-09-5 SDS

99960-09-5Relevant articles and documents

Isothiocyanation of amines using the Langlois reagent

Liao, Yan-Yan,Deng, Jian-Chao,Ke, Yan-Ping,Zhong, Xiao-Lin,Xu, Li,Tang, Ri-Yuan,Zheng, Wenxu

supporting information, p. 6073 - 6076 (2017/07/10)

The Langlois reagent was found to be effective for the isothiocyanation of primary amines in the presence of copper iodide and diethyl phosphonate.

Discovery of a novel 5-HT3 antagonist/5-HT1A agonist 3-amino-5,6,7,8-tetrahydro-2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl} quinazolin-4(3 H)-one (TZB-30878) as an orally bioavailable agent for irritable bowel syndrome

Asagarasu, Akira,Matsui, Teruaki,Hayashi, Hiroyuki,Tamaoki, Satoru,Yamauchi, Yukinao,Minato, Kouichi,Sato, Michitaka

scheme or table, p. 7549 - 7563 (2010/12/30)

We have prepared a series of quinazolinone derivatives linked with piperazinylquinoline for the treatment of irritable bowel syndrome (IBS). Using pharmacophore analysis, we designed and synthesized compounds which bind to both serotonin receptor subtype 1A (5-HT1A) and subtype 3 (5-HT 3). Quinazolinone derivatives with a sulfur atom in the linker showed high affinity in in vitro assays, but low in vivo activity. Focusing on the linker to improve the pharmacokinetic profile, the sulfur atom in the linker was replaced with a methylene group. Further optimization led to the discovery of compound 17m (TZB-30878) (J. Pharmacol. Exp. Ther. 2007, 322, 1315 -1323, Patent WO2005082887 (A1), 2005), a novel 5-HT1A agonist/5-HT3 antagonist in the 3-aminoquinazolinone series. In in vivo functional assays, 17m dose dependently inhibited the Bezold-Jarisch reflex and induced 5-HT 1A-mediated behaviors, and in an IBS animal model, 17m significantly inhibited stress-induced defecation. Pretreatment by WAY-100635 (5-HT 1A antagonist) significantly attenuated but did not abolish the inhibitory effects of 17m. These results suggested that 17m exerted inhibitory effects via both 5-HT1A agonistic and 5-HT3 antagonistic activities and that 17m would be useful as a therapeutic agent for IBS.

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