Basic information
- CAS
4812-14-0- Standard SMILES
O=S(=O)(O)C(O)c1cccnc1- InChIKey
FPOVRMNPSROFGX-UHFFFAOYSA-N- Molecular formula
- C6H7NO4S
- Average molar mass
- 189.19 g/mol
- Monoisotopic mass
- 189.00957888
Names & identifiers
- Preferred name
- alpha-Hydroxypyridine-3-methanesulphonic acid
- IUPAC
- hydroxy(pyridin-3-yl)methanesulfonic acid
- English name
- 3-Pyridylhydroxymethanesulfonic acid
- Molecular formula
- C6H7NO4S
- Molecular weight
- 189.18908
Names & synonyms
4812-14-0alpha-Hydroxypyridine-3-methanesulphonic acidEINECS 225-377-0DTXSID701036047NSC 526054Alpha-hydroxy-3-pyridinemethanesulfonic acidRefChem:555757DTXCID501520278225-377-0hydroxy(pyridin-3-yl)methanesulfonic acidSCHEMBL5147826SCHEMBL27445792
Show more names
α-Hydroxy-3-pyridinemethanesulfonic acid3-Pyridinemethanesulfonic acid, α-hydroxy-
NSC5260543-pyridyl(hydroxy)methanesulfonic acidAKOS006229657NSC-5260543-PYRIDYLHYDROXYMETHANESULFONIC ACIDNS000466293-Pyridinemethanesulfonic acid, alpha-hydroxy-methanesulfonic acid, 1-hydroxy-1-(3-pyridyl)-
Database identifiers
- CAS
4812-14-0- PubChem CID
- 101191
- DTXSID
DTXSID701036047- EC Number
- 225-377-0
- Nikkaji
- J262.471K
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
- 232
Physicochemical properties
- Melting point
- 160 °C · 160 °C (subl.)(lit.)
- Density
- 1.634 · 1.634±0.06 g/cm3(Predicted)
- pka
- -0.47 · -0.47±0.50(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 2585 · UN 2585 8/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2585 8/PG 3
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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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