4-(Acetylamino)-5-hydroxy-2,7-naphthalenedisulfonic acid
Basic information
- CAS
134-34-9- Standard SMILES
CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12- InChIKey
DACUJXBUANTBKE-UHFFFAOYSA-N- Molecular formula
- C12H11NO8S2
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 360.99260866
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-(Acetylamino)-5-hydroxy-2,7-naphthalenedisulfonic acid
- IUPAC
- 4-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid
- English name
- 4-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid
- Molecular formula
- C12H11NO8S2
- Molecular weight
- 361.35
Names & synonyms
134-34-94-(Acetylamino)-5-hydroxy-2,7-naphthalenedisulfonic acid2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-Y-3 cpdRefChem:97320205-139-24-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID4-Acetamido-5-hydroxy-2,7-naphthalenedisulfonic acidCHEMBL1446131-Acetamido-8-naphthol-3,6-disulfonic acid4-Acetamido-5-hydroxynaphthalene-2,7-disulphonic acid
Show more names
acetyl H acidN-Acetyl H Acid1-Acetylamino-8-naphthol-3,6-disulfonic acid1-Acetylamino-8-hydroxy-3,6-naphthalenedisulfonic acid4-(acetylamino)-5-hydroxy-7-naphthalenedisulfonic acid1-acetylamino-8-hydroxy-naphthalene-3,6-disulfonic acid
Y3Disodium 4-(acetylamino)-5-hydroxynaphthalene-2,7-disulphonateNSC744891a5vDACUJXBUANTBKE-UHFFFAOYSA-NEINECS 205-139-24-acetamido-5-hydroxy-naphthalene-2,7-disulfonic acidSCHEMBL1413179
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
- -0.3 · -0.30±0.40(Predicted)
- EPA Substance Registry System
- 4 · 4-Acetamido-5-hydroxy-2,7-naphthalenedisulfonic acid (134-34-9)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-: INACTIVE
Applications
Uses4-Acetamido-5-hydroxynaphthalene-2,7-disulfonic acid is used as an intermediate for reactive dyes, specifically for the reactive dye Brilliant Violet KN-4R.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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