2,7-Naphthalenedisulfonic acid, 4-(2-(4-amino-5-methoxy-2-methylphenyl)diazenyl)-5-((phenylsulfonyl)oxy)-
Basic information
- CAS
117-44-2- Standard SMILES
COc1cc(N=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(OS(=O)(=O)c4ccccc4)c23)c(C)cc1N- InChIKey
QEYCCMMMEKIJFH-UHFFFAOYSA-N- Molecular formula
- C24H21N3O10S3
- Average molar mass
- 607.6 g/mol
- Monoisotopic mass
- 607.0389074
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 4-(2-(4-amino-5-methoxy-2-methylphenyl)diazenyl)-5-((phenylsulfonyl)oxy)-
- IUPAC
- 4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid
- English name
- 4-[(4-amino-5-methoxy-o-tolyl)azo]-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acid
- Molecular formula
- C24H21N3O10S3
- Molecular weight
- 607.63
Names & synonyms
EINECS 204-190-82,7-Naphthalenedisulfonic acid, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]-5-[(phenylsulfonyl)oxy]-4-((4-Amino-5-methoxy-o-tolyl)azo)-5-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid2,7-Naphthalenedisulfonic acid, 4-((4-amino-5-methoxy-2-methylphenyl)azo)-5-((phenylsulfonyl)oxy)-2,7-Naphthalenedisulfonic acid, 4-(2-(4-amino-5-methoxy-2-methylphenyl)diazenyl)-5-((phenylsulfonyl)oxy)-4-[(4-Amino-5-methoxy-o-tolyl)azo]-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acid2,7-Naphthalenedisulfonic acid, 4-[2-(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-[(phenylsulfonyl)oxy]-RefChem:446103204-190-8117-44-2QEYCCMMMEKIJFH-UHFFFAOYSA-N4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid
Show more names
DTXSID5059456NS000237864-[(4-Amino-5-methoxy-2-methylphenyl)diazenyl]-5-[(benzenesulfonyl)oxy]naphthalene-2,7-disulfonic acid
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,220
Physicochemical properties
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- -0.65 · -0.65±0.40(Predicted)
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]-5-[(phenylsulfonyl)oxy]- (117-44-2)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 4-[(4-amino-5-methoxy-o-tolyl)azo]-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acid (EC: 204-190-8)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4-[2-(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-[(phenylsulfonyl)oxy]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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