2-Heptadecyl-3H-pyrazolo(1,5-a)benzimidazole-6-sulphonic acid
Basic information
- CAS
24939-67-1- Standard SMILES
CCCCCCCCCCCCCCCCCC1=Nn2c(nc3cc(S(=O)(=O)O)ccc32)C1- InChIKey
PPVCZORCMVDSHM-UHFFFAOYSA-N- Molecular formula
- C26H41N3O3S
- Average molar mass
- 475.7 g/mol
- Monoisotopic mass
- 475.28686335
Names & identifiers
- Preferred name
- 2-Heptadecyl-3H-pyrazolo(1,5-a)benzimidazole-6-sulphonic acid
- IUPAC
- 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid
- English name
- 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulphonic acid
- Molecular formula
- C26H41N3O3S
- Molecular weight
- 475.69
Names & synonyms
24939-67-12-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid2-Heptadecyl-3H-pyrazolo(1,5-a)benzimidazole-6-sulphonic acidEINECS 246-541-8DTXSID10179655PPVCZORCMVDSHM-UHFFFAOYSA-NSTK366214AKOS005443241NS00027772ST508670622-heptadecyl-2-pyrazolino[1,5-a]benzimidazole-6-sulfonic acid2-Heptadecyl-3H-pyrazolo[1,5-a][1,3]benzimidazole-6-sulfonic acid
Show more names
2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulphonic acid3H-Pyrazolo[1,5-a]benzimidazole-6-sulfonic acid, 2-heptadecyl-
Database identifiers
- CAS
24939-67-1- PubChem CID
- 90661
- DTXSID
DTXSID10179655- EC Number
- 246-541-8
- Nikkaji
- J286.431B
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 691
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…