2,3-Dihydro-6-isocyano-1,4-benzodioxine

Base Information

• Chemical Name: 2,3-Dihydro-6-isocyano-1,4-benzodioxine
• CAS No.: 174092-82-1
• Molecular Formula: C9H7NO2
• Molecular Weight: 161.1574
• Hs Code.: 29329900
• European Community (EC) Number: 674-108-7
• DSSTox Substance ID: DTXSID60370514
• Wikidata: Q82157668
• Mol file: 174092-82-1.mol

Synonyms:174092-82-1;2,3-DIHYDRO-6-ISOCYANO-1,4-BENZODIOXINE;6-Isocyano-4-oxachromane;6-isocyano-2,3-dihydro-1,4-benzodioxine;6-isocyano-2,3-dihydrobenzo[b][1,4]dioxine;6-Isocyano-2,3-dihydro-benzo[1,4]dioxine;SCHEMBL2249484;DTXSID60370514;AAUQOWLQNFIDQL-UHFFFAOYSA-N;MFCD06200565;AKOS015910627;GS-0349;6-isocyano-2,3-dihydro-1,4-benzodioxin;1,4-Benzodioxin,2,3-dihydro-6-isocyano-;FT-0692886;6-isocyano-2,3-dihydro-benzo[b][1,4]dioxine;6-isocyano-2,3-dihydrobenzo[b]-[1,4]dioxine;EN300-1177108;A811614;6-Isocyano-2,3-dihydro-1,4-benzodioxine, AldrichCPR

Chemical Property of 2,3-Dihydro-6-isocyano-1,4-benzodioxine

Chemical Property:

• Appearance/Colour: yellow to brown powder or chunks
• Melting Point: 81-87 ºC
• PSA: 18.46000
• LogP: 1.23930
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

98% ^*data from raw suppliers

2,3-Dihydro-6-isocyano-1,4-benzodioxine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[N+]C1=CC2=C(C=C1)OCCO2