Basic information
- CAS
21997-23-9- Standard SMILES
O=C1Cc2cc([N+](=O)[O-])ccc2O1- InChIKey
OFONKIRKKMJQLZ-UHFFFAOYSA-N- Molecular formula
- C8H5NO4
- Average molar mass
- 179.13 g/mol
- Monoisotopic mass
- 179.02185764
Names & identifiers
- Preferred name
- 5-Nitro-2(3H)-benzofuranone
- IUPAC
- 5-nitro-3H-1-benzofuran-2-one
- English name
- 5-Nitro-1-benzofuran-2(3H)-one
- Molecular formula
- C8H5NO4
- Molecular weight
- 179.13
Names & synonyms
21997-23-95-nitro-2(3H)-benzofuranoneRefChem:10731615-Nitro-3H-benzofuran-2-one5-NITROBENZOFURAN-2(3H)-ONE5-nitro-3H-1-benzofuran-2-one5-Nitro-1-benzofuran-2(3H)-one5-nitro-2,3-dihydro-1-benzofuran-2-oneMFCD180715972(3H)-Benzofuranone, 5-nitro-5-Nitrobenzofuran-2-one2,3 - Dihydruhenzofurane
Show more names
SCHEMBL983449DTXSID003450645-Nitro-1-benzofuran-2(3H)-one #AKOS015833320AS-3245AS-5297SY527056CS-0157641
Database identifiers
- CAS
21997-23-9- PubChem CID
- 601654
- DTXSID
DTXSID00345064- EC Number
- 606-887-6
- Nikkaji
- J737.152G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 355.5 · 355.5±31.0 °C(Predicted)
- Density
- 1.519 · 1.519±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2914120000 · 2914120000
Safety & regulation
Safety data
- hs_code
- 2914120000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
1 records
Compound notes
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