1,5-Naphthalenedisulfonic acid, 3-nitro-
Basic information
- CAS
117-86-2- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1- InChIKey
YDPFPDNDNZUKPL-UHFFFAOYSA-N- Molecular formula
- C10H7NO8S2
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 332.96130853
Names & identifiers
- Preferred name
- 1,5-Naphthalenedisulfonic acid, 3-nitro-
- IUPAC
- 3-nitronaphthalene-1,5-disulfonic acid
- English name
- 3-nitronaphthalene-1,5-disulphonic acid
- Molecular formula
- C10H7NO8S2
- Molecular weight
- 333.29
Names & synonyms
117-86-21,5-Naphthalenedisulfonic acid, 3-nitro-EINECS 204-216-8DTXSID9059462RefChem:417435DTXCID10334083-nitronaphthalene-1,5-disulfonic acid3-Nitronaphthalene-1,5-disulphonic acid3-(11-benzo[b][1]benzazepinyl)-N,N,2-trimethyl-1-propanamine hydrochlorideC10H7NO8S23-nitronaphthalene-1,5-disulfonicacidSCHEMBL2688466
Show more names
3-Nitro-1,5-naphthalenedisulfonic acid2-Nitro-4,8-naphthalenedisulfonic acid
SCHEMBL6542298SCHEMBL19179012BBL035079MFCD16038616STL426715AKOS025261081VS-12862DB-251613
Database identifiers
- CAS
117-86-2- PubChem CID
- 67032
- DTXSID
DTXSID9059462- EC Number
- 204-216-8
- Nikkaji
- J221.329J、J40.553A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 611
Physicochemical properties
- Density
- 1.841 · 1.841±0.06 g/cm3(Predicted)
- pka
- -1.01 · -1.01±0.40(Predicted)
- EPA Substance Registry System
- 1 · 1,5-Naphthalenedisulfonic acid, 3-nitro- (117-86-2)
- 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 Information1,5-Naphthalenedisulfonic acid, 3-nitro-: INACTIVE
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Related reactions
2 records
Compound notes
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