Basic information
- CAS
54518-41-1- Standard SMILES
O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3ccccc3S(=O)(=O)O)c(O)c12)c1cccc(S(=O)(=O)CCCl)c1- InChIKey
HAYRGMPWYJSHBP-UHFFFAOYSA-N- Molecular formula
- C25H20ClN3O13S4
- Average molar mass
- 734.2 g/mol
- Monoisotopic mass
- 732.9567501
Names & identifiers
- Preferred name
- 1,7-Naphthalenedisulfonic acid, 4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-
- IUPAC
- 4-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-5-hydroxy-6-[(2-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid
- English name
- 4-[[3-[(2-chloroethyl)sulphonyl]benzoyl]amino]-5-hydroxy-6-[(2-sulphophenyl)azo]naphthalene-1,7-disulphonic acid
- Molecular formula
- C25H20ClN3O13S4
- Molecular weight
- 734.15
Names & synonyms
EINECS 259-196-31,7-Naphthalenedisulfonic acid, 4-((3-((2-chloroethyl)sulfonyl)benzoyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-1,7-Naphthalenedisulfonic acid, 4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[(2-sulfophenyl)azo]-1,7-Naphthalenedisulfonic acid, 4-((3-((2-chloroethyl)sulfonyl)benzoyl)amino)-5-hydroxy-6-(2-(2-sulfophenyl)diazenyl)-1,7-Naphthalenedisulfonic acid, 4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-RefChem:41781754518-41-14-((3-((2-Chloroethyl)sulphonyl)benzoyl)amino)-5-hydroxy-6-((2-sulphophenyl)azo)naphthalene-1,7-disulphonic acid4-[[3-[(2-chloroethyl)sulphonyl]benzoyl]amino]-5-hydroxy-6-[(2-sulphophenyl)azo]naphthalene-1,7-disulphonic acidZ9TT3C7TV4DTXSID8068961SCHEMBL13880669
Show more names
4-[[3-[(2-Chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[(2-sulfophenyl)azo]-1,7-naphthalenedisulfonic acid
HAYRGMPWYJSHBP-UHFFFAOYSA-NDB-228988NS000565804-[[3-[(2-Chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-1,7-naphthalenedisulfonic acid4-[3-(2-Chloroethanesulfonyl)benzamido]-5-hydroxy-6-[(2-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 305 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,570
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,7-Naphthalenedisulfonic acid, 4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[(2-sulfophenyl)azo]- (54518-41-1)
- 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 Information1,7-Naphthalenedisulfonic acid, 4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-: INACTIVE
Suppliers1 total
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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