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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, 3,5-difluoro-

Fc1cc(F)cc(c1)S Request for Quotation
Chemical Name: Benzenethiol, 3,5-difluoro-
CAS Number: 99389-26-1
Product Number: AG0036NH(AGN-PC-0KKMGC)
Synonyms:
MDL No:
Molecular Formula: C6H4F2S
Molecular Weight: 146.1578

Identification/Properties

Properties
BP:
155.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
146.155g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
146g/mol
Monoisotopic Mass:
146g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
87.1
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

GHS Pictogram:
Signal Word:
Danger
UN#:
2810
Hazard Statements:
H301+H311+H331-H315-H319
Precautionary Statements:
P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


3,5-Difluorobenzenethiol, also known as $name$, is a versatile chemical compound used in various chemical synthesis processes. Its primary application lies in its ability to serve as a key building block in the creation of complex organic molecules. Due to its unique structure and reactivity, 3,5-Difluorobenzenethiol is particularly valued in the pharmaceutical industry for the synthesis of drug candidates and active pharmaceutical ingredients (APIs). Additionally, this compound finds use in material science for the development of novel polymers and functional materials. In organic synthesis, 3,5-Difluorobenzenethiol facilitates the introduction of fluorine atoms into target molecules, imparting desirable properties such as improved stability, bioavailability, and increased potency. Its precise manipulation in chemical reactions enables chemists to access a wide range of molecular structures with diverse applications in research and industry.