4-Chloro-5-hydroxynaphthalene-2,7-disulphonic acid
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Basic information
- CAS
90-21-1- Standard SMILES
O=S(=O)(O)c1cc(O)c2c(Cl)cc(S(=O)(=O)O)cc2c1- InChIKey
PGAVDCUYQQGYAK-UHFFFAOYSA-N- Molecular formula
- C10H7ClO7S2
- Average molar mass
- 338.7 g/mol
- Monoisotopic mass
- 337.9321726
Names & identifiers
- Preferred name
- 4-Chloro-5-hydroxynaphthalene-2,7-disulphonic acid
- IUPAC
- 4-chloro-5-hydroxynaphthalene-2,7-disulfonic acid
- English name
- 4-chloro-5-hydroxynaphthalene-2,7-disulphonic acid
- Molecular formula
- C10H7ClO7S2
- Molecular weight
- 338.74
Names & synonyms
4-chloro-5-hydroxynaphthalene-2,7-disulfonic acid90-21-14-Chloro-5-hydroxynaphthalene-2,7-disulphonic acidMFCD30744849C10H7ClO7S2EINECS 201-976-2SCHEMBL4809088SCHEMBL11143015DTXSID50237980PGAVDCUYQQGYAK-UHFFFAOYSA-NALBB-031660AKOS032954357
Show more names
8-chloro-1-naphthol-3,6-disulfonic acid4-Chloro-5-hydroxy-2,7-naphthalenedisulfonic acid2,7-Naphthalenedisulfonic acid, 4-chloro-5-hydroxy-
LS-11509NS00039354H458464-chloro-5-hydroxy-naphthalene-2,7-disulfonic acid
Database identifiers
- CAS
90-21-1- PubChem CID
- 66653
- DTXSID
DTXSID50237980- EC Number
- 201-976-2
- Nikkaji
- J182.067B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- Density
- 1.887 · 1.887±0.06 g/cm3(Predicted)
- pka
- -0.46 · -0.46±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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