Basic information
- CAS
57672-32-9- Standard SMILES
CC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2- InChIKey
ZPHONNSYOVXZDJ-UHFFFAOYSA-N- Molecular formula
- C10H9NO5
- Average molar mass
- 223.18 g/mol
- Monoisotopic mass
- 223.04807239
Names & identifiers
- Preferred name
- 1-(7-Nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone
- IUPAC
- 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
- English name
- 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
- Molecular formula
- C10H9NO5
- Molecular weight
- 223.18
Names & synonyms
57672-32-91-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one1-(7-Nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone1-(7-Nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoneCBMicro_014080Cambridge id 5216230SCHEMBL8482389Ethanone, 1-(2,3-dihydro-7-nitro-1,4-benzodioxin-6-yl)- (en)SMSF00046446-acetyl-7-nitro-1,4-benzodioxaneSTK045431
Show more names
1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanoneEthanone, 1-(2,3-dihydro-7-nitro-1,4-benzodioxin-6-yl)-
AKOS000112394CB09354ST050601BIM-0014058.P001CS-0238959EU-00401896-acetyl-7-nitro-2H,3H-benzo[e]1,4-dioxinEN300-203341
Database identifiers
- CAS
57672-32-9- PubChem CID
- 2754504
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 118 · 118-120 °C(Solv: ethanol (64-17-5); acetone (67-64-1))
- Boiling point
- 405.6 · 405.6±45.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…