Basic information
- CAS
6409-21-8- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12- InChIKey
JLDYJXZCXHXBTL-UHFFFAOYSA-N- Molecular formula
- C12H11NO8S2
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 360.99260866
Names & identifiers
- Preferred name
- 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-
- IUPAC
- 4-acetamido-5-hydroxynaphthalene-1,7-disulfonic acid
- English name
- 4-(acetylamino)-5-hydroxynaphthalene-1,7-disulphonic acid
- Molecular formula
- C12H11NO8S2
- Molecular weight
- 361.35
Names & synonyms
6409-21-81,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-4-(Acetylamino)-5-hydroxy-1,7-naphthalenedisulfonic acidEINECS 229-080-7DTXSID6064323RefChem:73705DTXCID30442094-acetamido-5-hydroxynaphthalene-1,7-disulfonic acid4-(Acetylamino)-5-hydroxynaphthalene-1,7-disulphonic acidK2ACG373UVSCHEMBL942276SCHEMBL1804480
Show more names
Tartrazine Impurity 13
NS00035637
Database identifiers
- CAS
6409-21-8- PubChem CID
- 80849
- DTXSID
DTXSID6064323- UNII
- K2ACG373UV
- EC Number
- 229-080-7
- Nikkaji
- J207.015D
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 662
Physicochemical properties
- Density
- 1.801 · 1.801±0.06 g/cm3(Predicted)
- pka
- -0.45 · -0.45±0.40(Predicted)
- EPA Substance Registry System
- 1 · 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy- (6409-21-8)
- TSCA
- TSCA listed
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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