(Q63398345)

English

Benzofuroxan

chemical compound

2,1,3-Benzoxadiazole 1-oxide
Benzofurazan 1-oxide

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

136.027277368 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆H₄N₂O₂

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canonical SMILES

C1=CC2=NO[N+](=C2C=C1)[O-]

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melting point

69.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4H

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InChIKey

OKEAMBAZBICIFP-UHFFFAOYSA-N

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CAS Registry Number

480-96-6

1 reference

InChIKey

OKEAMBAZBICIFP-UHFFFAOYSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=480-96-6

PubChem CID

68075

1 reference

matched by identifier from

InChIKey

OKEAMBAZBICIFP-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL8492

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OKEAMBAZBICIFP-UHFFFAOYSA-N

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP010516

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NMRShiftDB structure ID

10023707

1 reference

matched by identifier from

InChIKey

OKEAMBAZBICIFP-UHFFFAOYSA-N

DSSTox substance ID

DTXSID5060063

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

OKEAMBAZBICIFP-UHFFFAOYSA-N

DSSTOX compound identifier

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ECHA Substance Infocard ID

100.006.873

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.873

retrieved

29 December 2019

title

1-benzo-2-oxa-1,3-diazole oxide (English)

quotation

CAS no.: 480-96-6 (English)

UNII

34FFO6Y520

1 reference

matched by identifier from

InChIKey

OKEAMBAZBICIFP-UHFFFAOYSA-N

(Q63398345)

Benzofuroxan

Statements

Identifiers

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