4,4-Dimethyl-4-silapentane-1-sulfonic acid
Basic information
- CAS
18173-90-5- Standard SMILES
C[Si](C)(C)CCCS(=O)(=O)O- InChIKey
TVZRAEYQIKYCPH-UHFFFAOYSA-N- Molecular formula
- C6H16O3SSi
- Average molar mass
- 196.34 g/mol
- Monoisotopic mass
- 196.05894208
Overview
3-(trimethylsilyl)propane-1-sulfonic acid is an alkanesulfonic acid that is propanesulfonic acid substituted at position 3 by a trimethylsilyl group. It is an organosilicon compound and an alkanesulfonic acid. It is a conjugate acid of a 3-(trimethylsilyl)propane-1-sulfonate.
Names & identifiers
- Preferred name
- 4,4-Dimethyl-4-silapentane-1-sulfonic acid
- IUPAC
- 3-trimethylsilylpropane-1-sulfonic acid
Names & synonyms
4,4-dimethyl-4-silapentane-1-sulfonic acidRefChem:4964633-(trimethylsilyl)propane-1-sulfonic acid18173-90-53-trimethylsilylpropane-1-sulfonic acid1-Propanesulfonic acid, 3-(trimethylsilyl)-3-(Trimethylsilyl)-1-propanesulfonic acidNSC835583-(Trimethylsilyl)-1-propane sulfonic acid, sodium salt2,2-dimethyl-2-silapentane-5-sulfonic acidSCHEMBL3957229N66Z24TLR
Show more names
CHEBI:85362DTXSID80939465TVZRAEYQIKYCPH-UHFFFAOYSA-N3-(Trimethylsilyl)propane sulfonate3-(trimethylsilyl)propane-1-sulfonicacid3-(Trimethylsilyl)-1-propane sulfonic acid-EN300-26911895Q632712
Database identifiers
- CAS
18173-90-5- PubChem CID
- 74873
- DTXSID
DTXSID80939465- ChEBI
CHEBI:85362- UNII
- 9N66Z24TLR
- EC Number
- 863-960-7
- Nikkaji
- J476.436F
Properties
Computed structural properties
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 197
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 Corr. 1B (100%)
Related reactions
2 records
Compound notes
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