2-Amino-5-hydroxynaphthalene-1,7-disulphonic acid
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Basic information
- CAS
6535-70-2- Standard SMILES
Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O- InChIKey
HIVUAOXLSJITPA-UHFFFAOYSA-N- Molecular formula
- C10H9NO7S2
- Average molar mass
- 319.3 g/mol
- Monoisotopic mass
- 318.98204363
Names & identifiers
- Preferred name
- 2-Amino-5-hydroxynaphthalene-1,7-disulphonic acid
- IUPAC
- 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid
- English name
- 2-Amino-5-hydroxynaphthalene-1,7-disulfonic acid
- Molecular formula
- C10H9NO7S2
- Molecular weight
- 319.31
Names & synonyms
2-Amino-5-hydroxynaphthalene-1,7-disulphonic acidEINECS 229-445-02-Amino-5-hydroxy-1,7-naphthalenedisulfonic acidRefChem:464611229-445-02-amino-5-hydroxynaphthalene-1,7-disulfonic acid6535-70-23-Aminonaphthalene-8-Hydroxy-4,6-Disulfonic AcidMFCD034119832-amino-5-hydroxy-naphthalene-1,7-disulfonic acid2-Amino-5-hydroxynaphthalene-1,7-disulfonicacidSCHEMBL713434
Show more names
SULFO J ACID2-amino-5-naphthol-1,7-disulfonic acid3-amino-8-naphthol-4,6-disulfonic acid6-Amino-1-naphthol-3,5-disulfonic acid3-amino-4,6-disulfo-8-hydroxynaphthalene3-Amino-8-hydroxy-4,6-disulfonaphthalene2-Amino-5-naphthol- 1,7-disulphonic acid2-Amino-5-hydroxynaphthalene-1,7-disulfonicaci7-amino-4-hydroxynaphthalene-2,8-disulfonic acid6-amino-1-hydroxy-3,5-naphthalenedisulfonic acid
1,7-Naphthalenedisulfonic acid, 2-amino-5-hydroxy-SCHEMBL1413136SCHEMBL7067393SCHEMBL29415548SCHEMBL29516387DTXSID50983970K9T45FG392AKOS015897474
Database identifiers
- CAS
6535-70-2- PubChem CID
- 81024
- DTXSID
DTXSID50983970- UNII
- K9T45FG392
- EC Number
- 229-445-0
- Nikkaji
- J53.389K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- Boiling point
- 603.18 ℃[at · 603.18℃[at 101 325 Pa]
- Density
- 1.88 · 1.880
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- -0.42 · -0.42±0.40(Predicted)
- Water Solubility
- 35.36 g/L · 35.36g/L at 25℃
- InChI
- InChI=1S/C10H9NO7S2/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
- InChIKey
- HIVUAOXLSJITPA-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=C2C(C(O)=CC(S(O)(=O)=O)=C2)=CC=C1N
- LogP
- -2.33 at · -2.33 at 25℃
- CAS DataBase Reference
- 6535 · 6535-70-2(CAS DataBase Reference)
- REACH Registrations
- Inactive
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
This chemical does not meet GHS hazard criteria for 100% (9 of 9) of all reports.
Not Classified
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 13-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20683
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Inactive
Chemistry & industry
Applications
UsesSulfo J acid is used as a coupling component in azo reactive dyes, e.g., C.I. Reactive Red 6.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
8 records
Compound notes
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