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5067-90-3

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5067-90-3 Usage

General Description

2-Chlorobenzoyl isothiocyanate, also known as CBIC, is a chemical compound with the formula C8H4ClNOS. It is a colorless to light yellow liquid with a pungent odor. 2-CHLOROBENZOYL ISOTHIOCYANATE is widely used in organic synthesis as a reagent for the preparation of thioamides and thioesters. It is also utilized in the production of pharmaceuticals, agrochemicals, and dyes. CBIC is known to be a strong irritant and should be handled with caution, as it can cause skin and eye irritation upon contact. Additionally, it is important to handle this compound in a well-ventilated area or with proper personal protective equipment to avoid inhalation of its fumes.

Check Digit Verification of cas no

The CAS Registry Mumber 5067-90-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,0,6 and 7 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5067-90:
(6*5)+(5*0)+(4*6)+(3*7)+(2*9)+(1*0)=93
93 % 10 = 3
So 5067-90-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H4ClNOS/c9-7-4-2-1-3-6(7)8(11)10-5-12/h1-4H

5067-90-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Chlorobenzoyl isothiocyanate

1.2 Other means of identification

Product number -
Other names 2-CHLOROBENZOYL ISOTHIOCYANATE

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:5067-90-3 SDS

5067-90-3Relevant articles and documents

Design, green synthesis, molecular docking and anticancer evaluations of diazepam bearing sulfonamide moieties as VEGFR-2 inhibitors

Saleh, Nashwa M.,El-Gaby, Mohamed S.A.,El‐Adl, Khaled,Abd El-Sattar, Nour E.A.

, (2020)

Novel series of diazepam bearing sulfonamide moieties 5a-f and 7a-c were designed, synthesized and evaluated for anticancer activity against HepG2, HCT-116 and MCF-7 cell lines. MCF-7 was the most sensitive cell line to the influence

Synthesis, characterization, X-ray crystal structure, DFT calculation and antibacterial activities of new vanadium(IV, V) complexes containing chelidamic acid and novel thiourea derivatives

Farzanfar, Javad,Ghasemi, Khaled,Rezvani, Ali Reza,Delarami, Hojat Samareh,Ebrahimi, Ali,Hosseinpoor, Hona,Eskandari, Amir,Rudbari, Hadi Amiri,Bruno, Giuseppe

, p. 54 - 64 (2015)

Three new thiourea ligands derived from the condensation of aroyl- and aryl-isothiocyanate derivatives with 2,6-diaminopyridine, named 1,1′-(pyridine-2,6-diyl)bis(3-(benzoyl)thiourea) (L1), 1,1′-(pyridine-2,6-diyl)bis(3-(2-chlorobenzoyl)thiourea) (L2) and

Phase-transfer-catalyzed synthesis of N-aryl-N'-(2-chlorobenzoyl)-thiourea derivatives

Zhang, Youming,Wei, Taibao,Wang, Lailai

, p. 751 - 756 (1997)

Reaction of aromatic amines with 2-chlorobenzoyl chloride and ammonium thiocyanate under the condition of solid-liquid phase-transfer catalysis using polyethylene glycol-400 (PEG-400) as the catalyst yielded N-aryl-N'-(2-chlorobenzoyl)thioureas 3a-3j in g

Theoretical and experimental verification of molecular properties of novel benzamide derivatives using computational platforms and in vitro antibacterial activity

Wanjari, Poonam M.,Mokale, Santosh N.,Bharati, Avinash V.,Ingle, Vishwas N.

, p. 655 - 663 (2021/01/07)

A series of N-(benzo[d]oxazol-2-ylcarbamothioyl)-2/4-substituted benzamides were synthesized by the reaction of 2-aminobenzoxazole with apposite benzoyl isothiocyanate. The structure of the newly synthesized compounds was confirmed by chemical tests, elemental (C, H, N, and S), and spectral (IR, 1H NMR, 13C NMR, and mass) analysis. All the synthesized compounds were evaluated experimentally for their antibacterial activity against Gram-positive and Gram-negative bacteria. The test results show moderate to potent antibacterial activity compared to the standard drug. The binding interactions of newly synthesized ligand and protein were correlated using a molecular docking study using a binding pocket of GlcN-6-P synthase. [Figure not available: see fulltext.].

Synthesis and Spectral Characterization of New 2-(5-Aryl-4H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione Derivatives

Alimi,Hatamjafari,Shiroudi,Pourshamsian,Oliaey

, p. 631 - 637 (2021/06/02)

Abstract: A series of novel 2-(5-aryl-4H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-diones were synthesized in three steps. In the first step, treatment of substituted benzoyl chlorides with ammonium thiocyanate gave the corresponding benzoyl isothiocyanate

Synthesis and Investigation of the Antibacterial Activity of New Tris-Thiourea Derivatives

Ghorbani, Saghi Shiroud,Montazeri, Naser,Zeydi, Masoud Mohammadi,Ghane, Masood

, p. 60 - 64 (2021/04/21)

An efficient procedure for the preparation of symmetrical tris-thiourea derivatives (5a – 5h) by means of one-pot condensation reaction between available benzoyl chlorides (1a –1h) with potassium thiocyanate (2) and melamine (4) under reflux conditions is

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