Carbanilic acid, 3,4-dichlorodithio-, ethyl ester

Base Information

• Chemical Name: Carbanilic acid, 3,4-dichlorodithio-, ethyl ester
• CAS No.: 13037-37-1
• Molecular Formula: C₉H₉Cl₂NS₂
• Molecular Weight: 266.215
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70156487
• Nikkaji Number: J33.941E
• Mol file: 13037-37-1.mol

Synonyms:13037-37-1;ethyl N-(3,4-dichlorophenyl)carbamodithioate;3,4-Dichlorodithiocarbanilic acid ethyl ester;CARBANILIC ACID, 3,4-DICHLORODITHIO-, ETHYL ESTER;Ethyl 3,4-dichlorodithiocarbanilate;BRN 2724505;S-Aethyl-N-(3,4-dichlor-phenyl)-dithiocarbamat [German];S-Aethyl-N-(3,4-dichlor-phenyl)-dithiocarbamat;3,4-Dichlorophenylcarbamodithioic acid ethyl ester;C9H9Cl2NS2;C9-H9-Cl2-N-S2;DTXSID70156487;LS-51087;3,4-Dichlorophenyldithiocarbamic acid ethyl ester;Carbamodithioic acid, (3,4-dichlorophenyl)-, ethyl ester

Chemical Property of Carbanilic acid, 3,4-dichlorodithio-, ethyl ester

Chemical Property:

• Vapor Pressure: 4.68E-05mmHg at 25°C
• Boiling Point: 349.5°Cat760mmHg
• Flash Point: 165.2°C
• PSA: 76.46000
• Density: 1.44g/cm³
• LogP: 4.66380
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 264.9553470
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(=S)NC1=CC(=C(C=C1)Cl)Cl

Technology Process of Carbanilic acid, 3,4-dichlorodithio-, ethyl ester

There total 1 articles about Carbanilic acid, 3,4-dichlorodithio-, ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 3,4-Dichlor-dithiocarbanilsaeure-aethylester (13037-37-1)

Guidance literature:

3,4-Dichlor-phenylisothiocyanat, Aethylmercaptan, Triaethylamin;

DOI:10.1021/jm00341a006

Reference yield: 97.0%

3,4-Dichlor-dithiocarbanilsaeure-aethylester (13037-37-1) + p-toluic hydrazide (3619-22-5) → C15H11Cl2N3S (1214905-28-8)

Guidance literature:

With water; triethylamine; for 18h; Reflux;

DOI:10.1016/j.tetlet.2009.11.100

Reference yield: 91.0%

3,4-Dichlor-dithiocarbanilsaeure-aethylester (13037-37-1) + 2-phenylacetylhydrazine (937-39-3) → (5-Benzyl-[1,3,4]thiadiazol-2-yl)-(3,4-dichloro-phenyl)-amine

Guidance literature:

With water; triethylamine; for 18h; Reflux;

DOI:10.1016/j.tetlet.2009.11.100

Downstream raw materials:

N-(Dithio-aethoxycarbonyl)-3,4-dichlor-oxanilylchlorid

C₁₃H₈Cl₂N₄S

2-(3,4-dichlorophenylamino)-5-phenyl-2,4-dihydro-3H-1,3,4-thiadiazole

2-(3,4-dichlorophenylamino)-5-(2-hydroxyphenyl)-2,4-dihydro-3H-1,3,4-thiadiazole

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