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3-Chlorophenyl thiocyanate is an organic compound with the chemical formula C7H4ClNS. It is a colorless to pale yellow crystalline solid that is soluble in organic solvents such as ethanol and acetone. 3-chlorophenyl thiocyanate is formed by the reaction of 3-chlorophenol with thiocyanate ions, and it is used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. Due to its reactivity, 3-chlorophenyl thiocyanate should be handled with care, as it can cause irritation to the skin, eyes, and respiratory system. It is also important to note that it may be harmful if ingested or inhaled, and appropriate safety measures should be taken during its use and storage.

2402-00-8

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2402-00-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2402-00-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,4,0 and 2 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 2402-00:
(6*2)+(5*4)+(4*0)+(3*2)+(2*0)+(1*0)=38
38 % 10 = 8
So 2402-00-8 is a valid CAS Registry Number.

2402-00-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (3-chlorophenyl) thiocyanate

1.2 Other means of identification

Product number -
Other names m-Chlorophenyl thiocyanate

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:2402-00-8 SDS

2402-00-8Relevant academic research and scientific papers

Selectfluor-initiated cyanation of disulfides to thiocyanates

Zhou, Pengpeng,Chen, Chuan,Li, Shubai

, p. 376 - 380 (2020/02/13)

A Selectfluor-initiated cyanation of disulfides to thiocyanates has been developed. In this process, Selectfluor was employed as the oxidant and trimethylsilyl cyanide was used as the cyanation reagent. It provides an eco-friendly and simple way to synthesize the thiocyanates.

Direct Photocatalytic S-H Bond Cyanation with Green cN Source

Guo, Wei,Tan, Wen,Zhao, Mingming,Zheng, Lvyin,Tao, Kailiang,Chen, Deliang,Fan, Xiaolin

supporting information, p. 6580 - 6588 (2018/05/29)

Herein we report a novel C-S bond cleavage and reconstruction strategy for the synthesis of thiocyanates through direct photocatalytic S-H bond cyanation from thiols and inorganic thiocyanate salts. In our strategy, the unprecedented example of cutting off C-S bond of SCN- to deliver the green CN sources is demonstrated. This transformation features nontoxic and inexpensive CN sources, available starting materials, metal-/base-/ligand-/peroxide-free, high step economy and mild conditions. It leads to the construction of various thiocyanates and some medicinally and biologically active thiocyanate-containing molecules.

Preparation method for thiocyanide compound

-

Paragraph 0138; 0139; 0144; 0145, (2018/06/16)

The invention discloses a preparation method for a thiocyanide compound. The preparation method comprises the following steps: taking a sulfhydryl compound, thiocyanate as raw materials, taking rose-bengal, eosine Y or eosin B as a catalyst, performing illumination, generating a thiocyanide compound after the illumination reaction. According to the preparation method provided by the invention, thiocyanide is decomposed into thiocyanate ions; the sulfhydryl compound generates sulfhydryl radical under the action of light and the catalyst, and the sulfhydryl radical is used for attacking carbon atoms in thiocyanate ions to obtain a intermediate; sulfide is removed from the intermediate to obtain the thiocyanide compound. The rose-bengal, the eosine Y or the eosin B used by the method containno heavy metal ion, and the adverse effect on the performance of the thiocyanide compound by the heavy metal ion residue is avoided; in addition, the catalyst is easily removed, so that a favorable condition is provided for the preparation of the thiocyanide compound with higher purity.

Nitromethane as a cyanating reagent for the synthesis of thiocyanates

Wang, Zuo-Hui,Ji, Xiao-Ming,Hu, Mao-Lin,Tang, Ri-Yuan

supporting information, p. 5067 - 5070 (2015/08/06)

Nitromethane has been developed to be an effective cyanating reagent for the synthesis of thiocyanates. In the presence of iodine and base, a wide range of disulfides were reacted with nitromethane smoothly to give diverse thiocyanates in moderate to good yields.

The first observation of the E,Z configuration of Ar-X-N=S=N-X-Ar (X = S, Se) chains in the crystalline state

Makarov, Arkady G.,Bagryanskaya, Irina Yu.,Gatilov, Yuri V.,Kuratieva, Natalia V.,Makarov, Alexander Yu.,Shakirov, Makhmut M.,Alexeyev, Alexey V.,Tersago, Karla,Van Alsenoy, Christian,Blockhuys, Frank,Zibarev, Andrey V.

scheme or table, p. 4801 - 4810 (2011/03/01)

New oligomeric analogues of poly(sulfur nitride), i.e. 3-ClC 6R4-X-N=S=N-X-C6R4Cl-3 (5-8; R = H, F and X = S, Se), were synthesized and structurally characterized in the solid state by single-crystal XRD, in solution by variable-temperature NMR spectroscopy and in the gas phase with DFT/B3LYP calculations. In the crystal, compounds 5-7 display the well-known Z,Z configuration, whereas 8 (R = F, X = Se) is the first compound to display the E,Z configuration amongst twelve structurally defined Ar-X-N=S=N-X-Ar (X = S, Se) derivatives in the hydrocarbon and fluorocarbon series. Through a careful analysis of the packing schemes and the intermolecular interactions of the various compounds, an explanation of the abnormal behaviour of 8 is put forward. The unique E,Z configuration of the title compounds in the crystal is observed for Ar = 3-ClC6F 4 and X = Se - in the presence of eleven Z,Z configurations found by XRD for various Ar and X groups in the hydrocarbon and fluorocarbon series - and explained by specific intermolecular Se???Cl and F???Cl interactions. (Colour code: grey - C, green - Cl, light green - F, blue- N, orange - S, magenta - Se.)

Catalytic thiocyanation of aryldiazonium salts in the presence of copper salts

Beletskaya, Irina P.,Sigeev, Alexander S.,Peregudov, Alexander S.,Petrovskii, Pavel V.

, p. 250 - 251 (2007/10/03)

Aryldiazonium fluoroborates readily react with potassium thiocyanate in the presence of the CuI/CuII/Phen catalytic system to give arylthiocyanates in high yields.

Heterocycles in Organic Synthesis. Part 36. An Alternative to the Gattermann Reaction for the Conversion of Anilines into Thiocyanates

Katritzky, Alan R.,Thind, Sukhpal S.

, p. 865 - 868 (2007/10/02)

5,6-Dihydro-2,4-diphenylnaphthopyrylium thiocyanate is prepared in high yield.It reacts with primary arylamines to yield the corresponding fused pyridinium thiocyanates which when pyrolysed with a KNCS-NaCNS eutectic at ca. 220 deg C give the aryl thiocyanates in yields averaging 80percent.

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