Basic information
- CAS
23136-39-2- Standard SMILES
CC(=O)c1cc2cc([N+](=O)[O-])ccc2o1- InChIKey
RMXFQPLULZFJMH-UHFFFAOYSA-N- Molecular formula
- C10H7NO4
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.0375077
Names & identifiers
- Preferred name
- 1-(5-Nitro-1-benzofuran-2-YL)ethanone
- IUPAC
- 1-(5-nitro-1-benzofuran-2-yl)ethanone
- English name
- 2-Acetyl-5-nitrobenzo[b]furan
- Molecular formula
- C10H7NO4
- Molecular weight
- 205.17
Names & synonyms
1-(5-Nitro-1-benzofuran-2-yl)ethanoneRefChem:426591664-117-42-Acetyl-5-nitrobenzo[b]furan23136-39-21-(5-nitrobenzofuran-2-yl)ethanoneMFCD000516341-(5-Nitrobenzofuran-2-yl)ethan-1-oneEthanone, 1-(5-nitro-2-benzofuranyl)-1-(5-nitro-1-benzofuran-2-yl)ethan-1-oneMaybridge1_001103SCHEMBL3488219
Show more names
2-Acetyl-5-nitrobenzofurane2-Acetyl-5-nitrobenz[b]furan2-Acetyl-5-nitrobenzo[b]furane2-Acetyl-5-nitrobenzobüfuran, 98%1-(5-nitro-2-benzofuranyl)ethanoneMethyl 5-nitrobenzo[b]furanyl ketone
SCHEMBL31290976HMS544K03DTXSID50334226AKOS000506816CCG-234601AS-40609ST0613061-(5-Nitro-1-benzofuran-2-yl)ethanone #
Database identifiers
- CAS
23136-39-2- PubChem CID
- 520023
- DTXSID
DTXSID50334226- EC Number
- 664-117-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 175 °C · 175 °C
- Boiling point
- 350.1 · 350.1±22.0 °C(Predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- BRN
- 1684589 · 1684589
- CAS DataBase Reference
- 23136 · 23136-39-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- Safety Statements
- 22 · 22-24/25
- HS Code
- 2932990090 · 2932990090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers20 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Related reactions
2 records
Compound notes
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