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98041-44-2

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98041-44-2 Usage

Uses

2-Iodophenyl isothiocyanate is an important raw material and intermediate used in organic synthesis and pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 98041-44-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,8,0,4 and 1 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 98041-44:
(7*9)+(6*8)+(5*0)+(4*4)+(3*1)+(2*4)+(1*4)=142
142 % 10 = 2
So 98041-44-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H4INS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

98041-44-2 Well-known Company Product Price

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  • Alfa Aesar

  • (L11012)  2-Iodophenyl isothiocyanate, 97%   

  • 98041-44-2

  • 1g

  • 438.0CNY

  • Detail
  • Alfa Aesar

  • (L11012)  2-Iodophenyl isothiocyanate, 97%   

  • 98041-44-2

  • 5g

  • 1507.0CNY

  • Detail

98041-44-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-iodo-2-isothiocyanatobenzene

1.2 Other means of identification

Product number -
Other names 1-iodanyl-2-isothiocyanato-benzene

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:98041-44-2 SDS

98041-44-2Relevant articles and documents

Organophosphine-free copper-catalyzed isothiocyanation of amines with sodium bromodifluoroacetate and sulfur

Feng, Wei,Zhang, Xing-Guo

supporting information, p. 1144 - 1147 (2019/01/28)

A copper-catalyzed isothiocyanation of amines with sodium bromodifluoroacetate and sulfur in the absence of organophosphine has been established. This approach represents a simple and efficient one-pot synthesis of isothiocyanates, and features excellent functional group tolerance and the use of a cheap, safe and odorless sulfur source. Moreover, this process could directly provide isothiocyanate analogous bioactive molecules, thiocarbonyl-containing pesticides and facile construction of benzoxazole and benzimidazole frames.

Direct, Microwave-Assisted Synthesis of Isothiocyanates

Janczewski, ?ukasz,Gajda, Anna,Gajda, Tadeusz

supporting information, p. 2528 - 2532 (2019/04/03)

A microwave-assisted desulfuration of readily available dithiocarbamates, formed in situ from primary amines, leading to target isothiocyanates has been developed. This efficient protocol provides a rapid, environmentally benign route to aliphatic and aromatic isothiocyanates.

Synthesis, structure-activity relationship and binding mode analysis of 4-thiazolidinone derivatives as novel inhibitors of human dihydroorotate dehydrogenase

Zeng, Fanxun,Qi, Tiantian,Li, Chunyan,Li, Tingfang,Li, Honglin,Li, Shiliang,Zhu, Lili,Xu, Xiaoyong

supporting information, p. 1297 - 1302 (2017/07/07)

A series of 4-thiazolidinone derivatives were synthesized and evaluated as novel human dihydroorotate dehydrogenase (hDHODH) inhibitors. Compounds 26 and 31 displayed IC50 values of 1.75 and 1.12 μM, respectively. The structure-activity relationship was summarized. Further binding mode analysis revealed that compound 31 could form a hydrogen bond with Tyr38 and a water-mediated hydrogen bond with Ala55, which may be necessary for maintaining the bioactivities of the compounds in this series. Further structural optimization of the para- or meta-position of the phenyl group at R will lead to the identification of more potent hDHODH inhibitors.

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