Basic information
- CAS
6328-72-9- Standard SMILES
O=S(=O)(O)c1ccc(Cl)c2ccccc12- InChIKey
ASYHDOGSKLDKOW-UHFFFAOYSA-N- Molecular formula
- C10H7ClO3S
- Average molar mass
- 242.68 g/mol
- Monoisotopic mass
- 241.9804429
Names & identifiers
- Preferred name
- 4-Chloronaphthalene-1-sulfonic acid
- IUPAC
- 4-chloronaphthalene-1-sulfonic acid
- English name
- 4-chloronaphthalene-1-sulfonic acid
- Molecular formula
- C10H7ClO3S
- Molecular weight
- 242.68
Names & synonyms
4-chloronaphthalene-1-sulfonic acid6328-72-9NSC43854SCHEMBL3182766DTXSID10286116NSC-438541-Naphthalenesulfonic acid, 4-chloro-
Database identifiers
- CAS
6328-72-9- PubChem CID
- 239074
- DTXSID
DTXSID10286116- Nikkaji
- J1.346.954G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 212 °C · 212 °C
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- pka
- -0.02 · -0.02±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…