Basic information
- CAS
4872-28-0- Standard SMILES
O=S(=O)(O)C(O)c1ccncc1- InChIKey
LQGYKYJLWSWUAR-UHFFFAOYSA-N- Molecular formula
- C6H7NO4S
- Average molar mass
- 189.19 g/mol
- Monoisotopic mass
- 189.00957888
Names & identifiers
- Preferred name
- alpha-Hydroxy-4-pyridinemethanesulfonic acid
- IUPAC
- hydroxy(pyridin-4-yl)methanesulfonic acid
- English name
- alpha-hydroxypyridine-4-methanesulphonic acid
- Molecular formula
- C6H7NO4S
- Molecular weight
- 189.18908
Names & synonyms
DTXSID401276133Alpha-hydroxy-4-pyridinemethanesulfonic acidRefChem:555746DTXCID7017066664872-28-0hydroxy(pyridin-4-yl)methanesulfonic acidalpha-Hydroxypyridine-4-methanesulphonic acid4-Pyridinemethanesulfonicacid, a-hydroxy-EINECS 225-479-5AI3-51978SCHEMBL7829339SCHEMBL27445801
Show more names
4-PYRIDYLHYDROXYMETHANESULFONIC ACIDα-Hydroxy-4-pyridinemethanesulfonic acid4-Pyridinemethanesulfonic acid, α-hydroxy-
NSC11728NSC 11728NSC-11728NSC526055AKOS024332488NSC 526055NSC-526055hydroxy(4-pyridinyl)methanesulfonic acid
Database identifiers
- CAS
4872-28-0- PubChem CID
- 95464
- DTXSID
DTXSID401276133- EC Number
- 225-479-5
- Nikkaji
- J262.505I
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Density
- 1.634 · 1.634±0.06 g/cm3(Predicted)
- pka
- -0.47 · -0.47±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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