Basic information
- CAS
83-23-8- Standard SMILES
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(OS(=O)(=O)c3ccccc3)c12- InChIKey
SZDWYKHYOOGWOF-UHFFFAOYSA-N- Molecular formula
- C16H13NO9S3
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 458.97524451
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 4-amino-5-((phenylsulfonyl)oxy)-
- IUPAC
- 4-amino-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid
- English name
- O-Benzenesulfo H acid
- Molecular formula
- C16H13NO9S3
- Molecular weight
- 459.47
Names & synonyms
2,7-Naphthalenedisulfonic acid, 4-amino-5-[(phenylsulfonyl)oxy]-EINECS 201-460-7DTXSID70588882,7-Naphthalenedisulfonic acid, 4-amino-5-((phenylsulfonyl)oxy)-4-Amino-5-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid4-Amino-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acidRefChem:446168DTXCID2048327201-460-783-23-84-amino-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acidSCHEMBL8530271
Show more names
4-amino-5-(phenylsulfonyloxy)naphthalene-2,7-disulfonicacid4-azanyl-5-phenylsulfonyloxy-naphthalene-2,7-disulfonic acid2,7-Naphthalenedisulfonicacid, 4-amino-5-[(phenylsulfonyl)oxy]-
SZDWYKHYOOGWOF-UHFFFAOYSA-N4-AMINO-5-[(BENZENESULFONYL)OXY]NAPHTHALENE-2,7-DISULFONIC ACIDNS00041259
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 893
Physicochemical properties
- Density
- 1.733 · 1.733±0.06 g/cm3(Predicted)
- pka
- -1.09 · -1.09±0.40(Predicted)
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 4-amino-5-[(phenylsulfonyl)oxy]- (83-23-8)
- 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-amino-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acid (EC: 201-460-7)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4-amino-5-[(phenylsulfonyl)oxy]-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers3 total
Alfa Chemistry+1-5166625404 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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