Basic information
- CAS
4979-75-3- Standard SMILES
CCNS(=O)(=O)c1ccc2c(c1)nc(C)n2CC- InChIKey
GSFUKRFHWRMTPL-UHFFFAOYSA-N- Molecular formula
- C12H17N3O2S
- Average molar mass
- 267.35 g/mol
- Monoisotopic mass
- 267.10414797
Names & identifiers
- Preferred name
- N,1-Diethyl-2-methyl-5-benzimidazole-sulfonamide
- IUPAC
- N,1-diethyl-2-methylbenzimidazole-5-sulfonamide
- English name
- N,1-Diethyl-2-methyl-1H-benzimidazole-5-sulfonamide
- Molecular formula
- C12H17N3O2S
- Molecular weight
- 267.35
Names & synonyms
N,1-DIETHYL-2-METHYL-5-BENZIMIDAZOLE-SULFONAMIDERefChem:821436654-110-44979-75-3N,1-Diethyl-2-methyl-1H-benzimidazole-5-sulfonamideN,1-Diethyl-2-methyl-1H-benzo[d]imidazole-5-sulfonamideNSC119922DTXSID90964405AKOS024333008NSC-1199225-Benzimidazolesulfonamide,1-diethyl-2-methyl-N,1-Diethyl-2-methyl-1H-1,3-benzimidazole-5-sulfonamide
Show more names
1H-Benzimidazole-5-sulfonamide, N,1-diethyl-2-methyl-
Database identifiers
- CAS
4979-75-3- PubChem CID
- 274129
- DTXSID
DTXSID90964405- EC Number
- 654-110-4
- Nikkaji
- J124.149D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Melting point
- 208 °C · 208 °C
- Boiling point
- 464.2 · 464.2±37.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 11.2 · 11.20±0.50(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
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
Loading…