Basic information
- CAS
61215-89-2- Standard SMILES
CCCCCCCCCCCCCCCc1cccc(S(=O)(=O)O)c1- InChIKey
QQBZFCFCMKHPPC-UHFFFAOYSA-N- Molecular formula
- C21H36O3S
- Average molar mass
- 368.6 g/mol
- Monoisotopic mass
- 368.23851618
Overview
See also: Pentadecylbenzenesulfonic acid (annotation moved to).
Names & identifiers
- Preferred name
- Benzenesulfonic acid, pentadecyl-
- IUPAC
- 3-pentadecylbenzenesulfonic acid
- English name
- pentadecylbenzenesulphonic acid
- Molecular formula
- C21H36O3S
- Molecular weight
- 368.57374
Names & synonyms
Pentadecylbenzenesulphonic acidBenzenesulfonic acid, pentadecyl-EINECS 262-666-0RefChem:565011262-666-0PENTADECYLBENZENESULFONIC ACIDSCHEMBL28679052NS00123386Pentadecylbenzolsulfonsaure
Database identifiers
- CAS
61215-89-2- PubChem CID
- 43583
- EC Number
- 262-666-0
- Nikkaji
- J181.050B
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- EPA Substance Registry System
- Benzenesulfonic acid, pentadecyl- (61215-89-2)
- TSCA
- TSCA listed
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]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 104 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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, pentadecyl-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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