Basic information
- CAS
31361-99-6- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Nc1ccc(Nc2ccccc2)c(S(=O)(=O)[O-])c1.[Na+]- InChIKey
SHOIFWGEFRXVJW-UHFFFAOYSA-M- Molecular formula
- C24H19N4NaO7S2
- Average molar mass
- 562.6 g/mol
- Monoisotopic mass
- 562.05928559
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 5-[[2-nitro-4-[(phenylamino)sulfonyl]phenyl]amino]-2-(phenylamino)-, sodium salt (1:1)
- IUPAC
- sodium 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonate
- English name
- Metanilic acid, 6-anilino-N-[2-nitro-4-(phenylsulfamoyl)phenyl]-, sodium salt
- Molecular formula
- C24H20N4O7S2·Na
- Molecular weight
- 563.57
Names & synonyms
31361-99-6EC 412-320-1Benzenesulfonic acid, 5-((2-nitro-4-((phenylamino)sulfonyl)phenyl)amino)-2-(phenylamino)-, sodium salt (1:1)Benzenesulfonic acid, 5-[[2-nitro-4-[(phenylamino)sulfonyl]phenyl]amino]-2-(phenylamino)-, sodium salt (1:1)RefChem:118020Benzenesulfonic acid, 5-[[2-nitro-4-[(phenylamino)sulfonyl]phenyl]amino]-2-(phenylamino)-, monosodium saltBenzenesulfonic acid, 5-((2-nitro-4-((phenylamino)sulfonyl)phenyl)amino)-2-(phenylamino)-, monosodium saltDTXSID3074361sodium 2-anilino-5-(2-nitro-4-(N-phenylsulfamoyl))anilinobenzenesulfonateSodium 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzene-1-sulfonateMetanilic acid, 6-anilino-N-[2-nitro-4-(phenylsulfamoyl)phenyl]-, sodium salt
Database identifiers
- CAS
31361-99-6- PubChem CID
- 5490100
- DTXSID
DTXSID3074361- EC Number
- 412-320-1
Properties
Computed structural properties
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 951
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 5 · Benzenesulfonic acid, 5-[[2-nitro-4-[(phenylamino)sulfonyl]phenyl]amino]-2-(phenylamino)-, monosodium salt (31361-99-6)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H412
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P273-P501
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41-52/53
- Safety Statements
- 26 · 26-39-61
- TSCA
- TSCA listed
- 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
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Sodium 2-anilino-5-(2-nitro-4-(N-phenylsulfamoyl))anilinobenzenesulfonate (EC: 412-320-1)
Hazard Classes and Categories
Eye damage - category 1
Eye Dam. 1
Safety data
- tsca
- TSCA listed
- risk_code
- 41-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39-61
- Hazard statements
- H318-H412
- REACH Registrations
- Inactive
- Precautionary statements
- P280-P305+P351+P338-P310-P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 5-[[2-nitro-4-[(phenylamino)sulfonyl]phenyl]amino]-2-(phenylamino)-, sodium salt (1:1): INACTIVE
Suppliers1 total
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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