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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)-

1,4-Benzodioxin, 2,3-dihydro-6-isocyano-

[C-]#[N+]c1ccc2c(c1)OCCO2 Request for Quotation
Chemical Name: 1,4-Benzodioxin, 2,3-dihydro-6-isocyano-
CAS Number: 174092-82-1
Product Number: AG00AC4R(AGN-PC-0KK6R1)
Synonyms:
MDL No:
Molecular Formula: C9H7NO2
Molecular Weight: 161.15738

Identification/Properties

Computed Properties
Molecular Weight:
161.16g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
161.048g/mol
Monoisotopic Mass:
161.048g/mol
Topological Polar Surface Area:
22.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
208
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


2,3-Dihydro-6-isocyano-1,4-benzodioxine is a versatile compound widely used in chemical synthesis due to its unique properties. It serves as a valuable building block in organic chemistry, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals.This molecule is known for its reactivity and ability to undergo various chemical transformations, making it a key intermediate in the synthesis of complex organic molecules. In pharmaceutical synthesis, 2,3-Dihydro-6-isocyano-1,4-benzodioxine can be employed in the creation of potential drug candidates by serving as a precursor to functional groups found in many bioactive compounds.Additionally, this compound plays a crucial role in the production of agrochemicals by acting as a starting material for the synthesis of pesticides, herbicides, and fungicides. Its structural features make it a valuable component in designing molecules with specific biological activities that can help protect crops and enhance agricultural productivity.In the realm of specialty chemicals, 2,3-Dihydro-6-isocyano-1,4-benzodioxine is utilized for its ability to participate in diverse chemical reactions, enabling the creation of a wide range of specialty compounds with unique functionalities. This compound's versatility and synthetic utility make it an indispensable tool for chemists striving to develop new materials and compounds with tailored properties.Overall, 2,3-Dihydro-6-isocyano-1,4-benzodioxine is a valuable and versatile compound in chemical synthesis, playing a crucial role in the creation of various organic molecules with applications in pharmaceuticals, agrochemicals, and specialty chemicals.