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Benzenecarbothioyl chloride, also known as benzoyl chloride, is a chemical compound with the formula C7H5C(O)Cl. It is a colorless to pale yellow liquid with a strong, irritating odor. Benzenecarbothioyl chloride is highly reactive and is primarily used as a reagent in organic synthesis.

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  • 3335-22-6 Structure
  • Basic information

    1. Product Name: Benzenecarbothioyl chloride
    2. Synonyms: Thiobenzoyl chloride;Benzoyl chloride, thio- (6CI,7CI,8CI);
    3. CAS NO:3335-22-6
    4. Molecular Formula: C7H5ClS
    5. Molecular Weight: 156.636
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 3335-22-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 218.95 °C at 760 mmHg
    3. Flash Point: 86.219 °C
    4. Appearance: N/A
    5. Density: 1.266 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzenecarbothioyl chloride(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzenecarbothioyl chloride(3335-22-6)
    11. EPA Substance Registry System: Benzenecarbothioyl chloride(3335-22-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 3335-22-6(Hazardous Substances Data)

3335-22-6 Usage

Uses

Used in Organic Synthesis:
Benzenecarbothioyl chloride is used as a reagent in organic synthesis for its ability to facilitate various chemical reactions, contributing to the production of a wide range of compounds.
Used in Dye Production:
In the dye industry, benzenecarbothioyl chloride is used as an intermediate in the synthesis of dyes, enabling the creation of a variety of colorants for different applications.
Used in Perfume Production:
Benzenecarbothioyl chloride is utilized in the perfume industry as a precursor to various aromatic compounds, enhancing the fragrance profiles of perfumes.
Used in Pharmaceutical Production:
Benzenecarbothioyl chloride serves as a key intermediate in the synthesis of pharmaceuticals, playing a crucial role in the development of new drugs and medicines.
Used in Polymer Production:
Benzenecarbothioyl chloride is used in the production of polymers, contributing to the formation of various types of plastics and other polymeric materials.
Used as a Precursor to Benzoic Acid and Benzophenone:
In the chemical industry, benzenecarbothioyl chloride is used as a precursor to benzoic acid and benzophenone, which are important for the synthesis of other organic compounds and have applications in various fields.
Safety and Handling:
Due to its highly reactive nature, benzenecarbothioyl chloride must be handled with care to prevent severe burns and irritation to the skin, eyes, and respiratory system. It is classified as a hazardous chemical and should be stored and used in a well-ventilated area with proper protective equipment.

Check Digit Verification of cas no

The CAS Registry Mumber 3335-22-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,3,3 and 5 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 3335-22:
(6*3)+(5*3)+(4*3)+(3*5)+(2*2)+(1*2)=66
66 % 10 = 6
So 3335-22-6 is a valid CAS Registry Number.

3335-22-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name phenylthiocarbonylchloride

1.2 Other means of identification

Product number -
Other names 2-THIOPHENOYLCHLORIDE

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:3335-22-6 SDS

3335-22-6Relevant articles and documents

A Convenient Synthesis of Difluoroalkyl Ethers from Thionoesters Using Silver(I) Fluoride

Newton, Josiah,Driedger, Daniel,Nodwell, Matthew B.,Schaffer, Paul,Martin, Rainer E.,Britton, Robert,Friesen, Chadron M.

supporting information, p. 15993 - 15997 (2019/11/19)

Herein we report the mild and rapid fluorodesulfurization of thionoesters using only silver(I) fluoride. This reaction demonstrates excellent functional group tolerance and complements existing strategies for difluoroalkyl ether synthesis, which rely on t

Palladium-Nanoparticles-Catalyzed Oxidative Annulation of Benzamides with Alkynes for the Synthesis of Isoquinolones

Sharma, Nidhi,Saha, Rajib,Parveen, Naziya,Sekar, Govindasamy

supporting information, p. 1947 - 1958 (2017/06/09)

A novel method to synthesize isoquinolones via oxidative annulation of N-alkoxy benzamides and alkynes using binaphthyl-stabilized palladium nanoparticles (Pd-BNP) as catalyst has been developed. This methodology affords various isoquinolone derivatives in good to excellent yields with high regioselectivities in the presence of air as oxidant. N-Methoxybenzothioamide was also found to undergo oxidative annulation with alkyne successfully and provided a sulfur analogue of isoquinolones in moderate yields. The Pd-BNP catalyst was easily recovered and reused up to four times without any apparent agglomeration. (Figure presented.).

Laser flash photolysis studies of oxygen and sulfur atom transfer reactions from oxiranes and thiiranes to singlet carbenes

Pezacki, John Paul,Wood, Paul D.,Gadosy, Timothy A.,Lusztyk, Janusz,Warkentin, John

, p. 8681 - 8691 (2007/10/03)

Laser flash photolysis (UV-LFP) studies of benzylchlorodiazirine (1a), phenylchlorodiazirine (1b), phenylmethoxydiazirine (1c), 2,2-dimethoxy-5,5- dimethyl-Δ3-1,3,4-oxadiazoline (6a), 3,4-diaza-2,2-dimethoxy 1- oxa[4.3]spirooct-3-ene (6b), 5',5'-dimethoxyspiro[adamantane]-2,2 -[Δ3- 1,3,4-oxadiazoline] (6c), and diazofluorene (DAF) in the presence of oxiranes and thiiranes are reported. These compounds, upon irradiation, afford benzylchlorocarbene (2a), phenylchlorocarbene (2b), methoxyphenylcarbene (2c), dimethylcarbene (8a), cyclobutylidene (8b), adamantylidene (8c), and fluorenylidene (FL), respectively. Absolute rate constants for the transfer of oxygen and sulfur atoms to these carbenes have been determined in both acetonitrile and cyclohexane solvents. These carbenes abstract oxygen and sulfur atoms with bimolecular rate constants ranging from 104 to 1010 M- 1 s-1 at 22 °C. Ylides from attack of carbenes onto heteroatom donors were not observed for any of the heteroatom transfer reactions. It was found that the magnitudes of the rate constants for heteroatom transfer are dependent on the philicity of the carbene intermediate, and trends in the kinetic data suggest that oxygen and sulfur atom transfers occur by concerted mechanisms through ylide-like transition states. The reactions of dimethoxycarbene (14) with cyclohexene oxide and propylene sulfide have been studied by the thermolysis of 6a, in benzene, at 110 °C. It was found that dimethoxycarbene also abstracts oxygen and sulfur atoms, albeit in low yields. It is concluded that, for singlet carbenes, carbene electrophiiicity is important in these heteroatom transfer processes.

5,6-dihydro-4H-1,3-oxa(or thia)zine derivatives, their preparation and compositions containing them

-

, (2008/06/13)

Compounds of formula: STR1 in which R1 denotes 2-indolyl, 2-thienyl, 3-furyl, naphthyl, phenyl, or phenyl substituted with one or two halogen atoms, with alkoxy, alkyl, nitro, acylamino, alkylthio, acyl, trifluoromethoxy, morpholino, piperidino

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