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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzenethiol, 3,4-dichloro-

Sc1ccc(c(c1)Cl)Cl Request for Quotation
Chemical Name: Benzenethiol, 3,4-dichloro-
CAS Number: 5858-17-3
Product Number: AG003IGJ(AGN-PC-0JLSCS)
Synonyms:
MDL No:
Molecular Formula: C6H4Cl2S
Molecular Weight: 179.0670

Identification/Properties

Properties
MP:
21°C
BP:
255.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Stability:
Stench
Refractive Index:
n20/D 1.623(lit.)
Computed Properties
Molecular Weight:
179.058g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
177.941g/mol
Monoisotopic Mass:
177.941g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
97.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


3,4-Dichlorobenzenethiol, a key compound in chemical synthesis, serves as a versatile building block with a wide range of applications. In organic chemistry, it is commonly used as a reagent in the preparation of various functionalized molecules and pharmaceutical intermediates. This compound lends itself well to substitution reactions, enabling the introduction of diverse chemical functionalities. Additionally, it can participate in thiol-disulfide exchange reactions, making it valuable in the construction of complex molecular structures. Furthermore, 3,4-Dichlorobenzenethiol can serve as a valuable starting material for the synthesis of dyes, pesticides, and other specialty chemicals. Its unique chemical properties and reactivity make it a valuable tool for synthetic chemists seeking to access novel compounds for various applications.