Basic information
- CAS
14245-98-8- Standard SMILES
O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3ccccc3)c(O)ccc2c1- InChIKey
MPVDXIMFBOLMNW-UHFFFAOYSA-N- Molecular formula
- C16H12N2O7S2
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.00859307
Overview
7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid is a naphthalenesulfonic acid that is naphthalene-1,3-disulfonic acid carrying additional hydroxy and phenyldiazenyl substituents at positions 7 and 8 respectively. The disodium salt is the biological stain 'orange G'. It is a member of azobenzenes, a member of naphthols and a naphthalenesulfonic acid. It is a conjugate acid of a 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonate.
Names & identifiers
- Preferred name
- 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-phenyldiazenyl)
- IUPAC
- 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonic acid
Names & synonyms
DTXSID00469851,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-phenyldiazenyl)RefChem:1052964DTXCID40809817orange G free acid14245-98-83U2C2O009A2-Naphthol-6,8-disulfonic acid, 1-phenylazo-UNII-3U2C2O009A1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(phenylazo)-1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-phenyldiazenyl)-7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonic acid
Show more names
7-Hydroxy-8-[(E)-Phenyldiazenyl]naphthalene-1,3-Disulfonic Acid1-Phenylazo-2-naphthol-6,8-disulfonic acid, disodium saltOraSCHEMBL3020774SCHEMBL3020776CHEMBL1615565SCHEMBL15115318SCHEMBL17279088
Database identifiers
- CAS
14245-98-8- PubChem CID
- 16016
- DTXSID
DTXSID0046985- ChEMBL
CHEMBL1615565- ChEBI
CHEBI:87092- UNII
- 3U2C2O009A
- Nikkaji
- J269.432H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 751
Experimental & physicochemical properties
Collision Cross Section192.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6021082]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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