N-ethyl-2-nitrobenzene-1-sulfonamide
Basic information
- CAS
23530-41-8- Standard SMILES
CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
MQOIFAQSYCSLRF-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4S
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.03612798
Names & identifiers
- Preferred name
- N-ethyl-2-nitrobenzene-1-sulfonamide
- IUPAC
- N-ethyl-2-nitrobenzenesulfonamide
- English name
- Benzenesulfonamide, N-ethyl-2-nitro-
- Molecular formula
- C8H10N2O4S
- Molecular weight
- 230.24
Names & synonyms
N-Ethyl-2-nitrobenzene-1-sulfonamideRefChem:829866967-885-1N-ethyl-2-nitrobenzenesulfonamide23530-41-8MFCD00458269Benzenesulfonamide, N-ethyl-2-nitro-N-ethyl-2-nitro-BenzenesulfonamideSCHEMBL2126962SCHEMBL4172154SCHEMBL8526974SCHEMBL29658814
Show more names
N-ethyl-2-nitrobenzenesulfonamine2-Nitrobenzenesulfonyl-N-alkylamineN-Ethyl-2-nitrobenzene-1-sulfonamide(ENS)
DTXSID40353542MQOIFAQSYCSLRF-UHFFFAOYSA-NN-ethyl-2-nitrobenzene-sulfonamideAKOS003835713SB77328BS-22091SY276672DB-119930
Database identifiers
- CAS
23530-41-8- PubChem CID
- 744706
- DTXSID
DTXSID40353542- EC Number
- 967-885-1
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 386.8 · 386.8±44.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- pka
- 10.78 · 10.78±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
9 records
Compound notes
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