Basic information
- CAS
26651-23-0- Standard SMILES
O=S(=O)(O)c1ccc2ccc3cccc4ccc1c2c34- InChIKey
DLOBKMWCBFOUHP-UHFFFAOYSA-N- Molecular formula
- C16H10O3S
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.03506535
Names & identifiers
- Preferred name
- 1-Pyrenesulfonic acid
- IUPAC
- pyrene-1-sulfonic acid
- English name
- 1-Pyrenesulfonic acid
- Molecular formula
- C16H10O3S
- Molecular weight
- 282.31
Names & synonyms
1-Pyrenesulfonic acid26651-23-0Pyrene-3-sulfonic acidSW74Q7T9PNDTXSID00181186RefChem:77202DTXCID10103677Pyrene-1-sulfonic acid1-Pyrenesulfonic Acid, Pract.1-PYRENESULFONICACIDMFCD00014328pyrenesulfonic acid
Show more names
TIMTEC-BB SBB008170pyrene-3-sulfonicacidpyrene-1-sulfonicacid1-PYRENESULFONIC ACID 95%
CCRIS 3179SCHEMBL139959SCHEMBL29623330SCHEMBL29825144SBB008170AKOS025116670DB-046996ST50828176
Database identifiers
- CAS
26651-23-0- PubChem CID
- 101009
- DTXSID
DTXSID00181186- UNII
- SW74Q7T9PN
- Nikkaji
- J465.359I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Melting point
- 125 · 125-129 °C(lit.)
- EWG's Food Scores
- 1 · 1
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 22 · 22-26-27-36/37/39-45
- RIDADR
- 1759 · UN 1759 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 2520000 · UR2520000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- UR2520000
- ridadr
- UN 1759 8/PG 2
- risk_code
- 34
- hazard_code
- C
- safety_code
- 22-26-27-36/37/39-45
Chemistry & industry
Suppliers3 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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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