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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)-

1H-Benzotriazole, 5-chloro-6-fluoro-

Clc1cc2[nH]nnc2cc1F Request for Quotation
Chemical Name: 1H-Benzotriazole, 5-chloro-6-fluoro-
CAS Number: 99803-85-7
Product Number: AG003W4H(AGN-PC-0OP9P4)
Synonyms:
MDL No:
Molecular Formula: C6H3ClFN3
Molecular Weight: 171.5595

Identification/Properties

Properties
MP:
214-216 °C
BP:
322.3 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
171.559g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
171g/mol
Monoisotopic Mass:
171g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
157
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


6-Chloro-5-fluoro-1H-benzo[d][1,2,3]triazole, also known as $name$, serves as a valuable building block in chemical synthesis. With its unique structure and reactivity, this compound finds extensive use in the pharmaceutical, agrochemical, and materials industries. In chemical synthesis, $name$ acts as a key intermediate in the preparation of various heterocyclic compounds, such as triazoles, which are essential motifs in drug discovery and development. Its versatile nature allows for the modification of the triazole ring, enabling the synthesis of diverse compounds with potential biological activities. Additionally, 6-Chloro-5-fluoro-1H-benzo[d][1,2,3]triazole can participate in cross-coupling reactions, functional group transformations, and other synthetic pathways to create complex molecules of interest. Its presence in the synthetic toolbox highlights its significance in advancing the field of organic chemistry and facilitating the creation of novel compounds for various applications.