Basic information
- Standard SMILES
[O-][n+]1onc2ccccc21- InChIKey
OKEAMBAZBICIFP-UHFFFAOYSA-N- Molecular formula
- C6H4N2O2
- Average molar mass
- 136.11 g/mol
- Monoisotopic mass
- 136.02727738
Names & identifiers
- Preferred name
- Benzofuroxan
- IUPAC
- 3-oxido-2,1,3-benzoxadiazol-3-ium
- English name
- Benzofuroxan
- Molecular formula
- C6H4N2O2
- Molecular weight
- 136.11
Names & synonyms
Benzofuroxan480-96-6BenzofuroxaneBenzofurazan 1-oxideBenzofurazan oxide2,1,3-Benzoxadiazole, 1-oxideBenzofurazan N-oxideNSC-1993034FFO6Y520RefChem:565234DTXCID2040600DTXSID5060063
Show more names
KIH-403AKOS 93854enzofurxanBenzofuzanBenzofuroximeBenzofuroxan,99%
207-559-12,1,3-Benzoxadiazole 1-oxide3-oxido-2,1,3-benzoxadiazol-3-ium2,1,3-benzoxadiazol-1-ium-1-olateBenzofurazan, 1-oxideBENZO[C][1,2,5]OXADIAZOLE 1-OXIDEMFCD00005807benzo[c]1,2,5-oxadiazol-1-ol
Database identifiers
- CAS
480-96-6- PubChem CID
- 68075
- DTXSID
DTXSID5060063- ChEMBL
CHEMBL2413971- UNII
- 34FFO6Y520
- EC Number
- 207-559-1
- Nikkaji
- J12.992E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 66 · 66-69 °C
- Boiling point
- 250.35 °C · 250.35°C (rough estimate)
- Density
- 1.4175 · 1.4175 (rough estimate)
- vapor pressure
- 5.8 Pa · 5.8Pa at 25℃
- refractive index
- 1.4738 · 1.4738 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.58 · 4.58±0.46(Predicted)
- color
- Yellow
- Water Solubility
- Soluble in methanol. Insoluble in water.
- BRN
- 125112 · 125112
- LogP
- 1.43 · 1.43
- CAS DataBase Reference
- 480 · 480-96-6(CAS DataBase Reference)
- FDA UNII
- 34 FFO6Y520 · 34FFO6Y520
- NIST Chemistry Reference
- 1 · Benzofurazan, 1-oxide(480-96-6)
- EPA Substance Registry System
- 2 · 2,1,3-Benzoxadiazole, 1-oxide (480-96-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25-36-26
- TSCA
- TSCA listed
- HS Code
- 29322090 · 29322090
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 8.5% (4 of 47) of reports.
Warning
H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 47 reports by companies.；There are 6 notifications provided by 43 of 47 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationStatus: Active Update: 10-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22876
Hazard Classes and CategoriesSkin Irrit. 2 (91.5%)；Eye Irrit. 2 (91.5%)；STOT SE 3 (87.2%)
Regulatory information
Regulatory InformationStatus: Active Update: 10-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22876
Safety data
- tsca
- TSCA listed
- hs_code
- 29322090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,1,3-Benzoxadiazole, 1-oxide: ACTIVE
Applications
UsesBenzofuroxan is used as an oxidant for the preparation of 2-arylsubstituted benzimidazoles, quinoxalines and 1,4-bis(alkylamino)-9,10-anthracenediones. It is also sued in the synthesis of 1,2-dinitrosobenzene.
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
安徽省大利生物科技有限责任公司15705632007
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
浙江泽天精细化工有限公司18957127338 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
天津掌心医药科技有限公司022-28219283 18522293726 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
Related reactions
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