Basic information
- CAS
5402-20-0- Standard SMILES
O=S(=O)(O)c1ccncc1- InChIKey
PTWLOSARXIJRRJ-UHFFFAOYSA-N- Molecular formula
- C5H5NO3S
- Average molar mass
- 159.17 g/mol
- Monoisotopic mass
- 158.9990142
Names & identifiers
- Preferred name
- 4-Pyridinesulfonic acid
- IUPAC
- pyridine-4-sulfonic acid
- English name
- 4-Pyridinesulphonic acid
- Molecular formula
- C5H5NO3S
- Molecular weight
- 159.16
Names & synonyms
5402-20-04-Pyridinesulfonic acidBS92GQS9EZNSC-5082RefChem:1071555pyridine-4-sulfonic acid4-PYRIDINESULPHONIC ACIDPyridine-4-sulphonic acidMFCD00234082Vonoprazan Impurity BVonoprazan? Impurity Bpyridine, 4-sulpho-
Show more names
Pyridine-4-suL4-SulphopyridineTAK438 Impurity 30TAK438 Impurity 1544-Pyridinesulfonicaci4-PyridinesulfonicacidVonoprazan Impurity 154Pyridin-4-sulfonic acid
UNII-BS92GQS9EZSCHEMBL1416290SCHEMBL2166338SCHEMBL3945757NSC5082NSC 5082AKOS015891504PS-8788
Database identifiers
- CAS
5402-20-0- PubChem CID
- 221127
- UNII
- BS92GQS9EZ
- Nikkaji
- J887.325I
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 330 ℃ · 330℃ (DEC.)
- Density
- 1.509 · 1.509
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -2.85 · -2.85±0.50(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C5H5NO3S/c7-10(8,9)5-1-3-6-4-2-5/h1-4H,(H,7,8,9)
- InChIKey
- PTWLOSARXIJRRJ-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(S(O)(=O)=O)=C1
- FDA UNII
- 92 GQS9EZ · BS92GQS9EZ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- C
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Pyridinesulphonic acid is an organic synthetic reagent for the preparation of 4-dimethylaminopyridine and its derivatives. It is also involved in the preparation of hydrogen sensor elements.
Suppliers94 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海波以尔化工有限公司[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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