Basic information
- CAS
105583-03-7- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)c1ccccc1O2- InChIKey
DURHLDOYVCSYMF-UHFFFAOYSA-N- Molecular formula
- C12H7NO5S
- Average molar mass
- 277.25 g/mol
- Monoisotopic mass
- 277.0044935
Names & identifiers
- Preferred name
- 2-Nitrophenoxathiin-10,10-dioxide
- IUPAC
- 2-nitrophenoxathiine 10,10-dioxide
- English name
- 2-Nitrophenoxathiin-10,10-dioxide
- Molecular formula
- C12H7NO5S
- Molecular weight
- 277.25
Names & synonyms
2-Nitrophenoxathiin-10,10-dioxide105583-03-7DTXSID90332589RefChem:88735DTXCID30283682660-276-9DURHLDOYVCSYMF-UHFFFAOYSA-N2-nitrophenoxathiine 10,10-dioxideCHEMBL667262-nitrophenoxathiin 10,10-dioxide2-Nitrophenoxathiin, 10,10-dioxideAKOS024338763
Show more names
Phenoxathiin, 2-nitro-, 10,10-dioxide
2-Nitro-10H-10lambda~6~-phenoxathiine-10,10-dione
Database identifiers
- CAS
105583-03-7- PubChem CID
- 458975
- DTXSID
DTXSID90332589- ChEMBL
CHEMBL66726- EC Number
- 660-276-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Melting point
- 192 · 192-194 °C(Solv: acetone (67-64-1))
- Boiling point
- 498.3 · 498.3±44.0 °C(Predicted)
- Density
- 1.579 · 1.579±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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