1,3-Benzenedisulfonic acid, 4,6-diamino-
Basic information
- CAS
137-50-8- Standard SMILES
Nc1cc(N)c(S(=O)(=O)O)cc1S(=O)(=O)O- InChIKey
YADSWTKOIHUSDX-UHFFFAOYSA-N- Molecular formula
- C6H8N2O6S2
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 267.98237833
Names & identifiers
- Preferred name
- 1,3-Benzenedisulfonic acid, 4,6-diamino-
- IUPAC
- 4,6-diaminobenzene-1,3-disulfonic acid
- English name
- 1,3-Phenylenediamine-4,6-disulfonic acid
- Molecular formula
- C6H8N2O6S2
- Molecular weight
- 268.27
Names & synonyms
137-50-81,3-Benzenedisulfonic acid, 4,6-diamino-4,6-Diaminobenzene-1,3-disulphonic acidEINECS 205-298-84,6-diamino-1,3-benzenedisulfonic acidDTXSID9059674RefChem:413798DTXCID1034397205-298-84,6-diaminobenzene-1,3-disulfonic acid1,3-phenylenediamine-4,6-disulfonic acid4,6-diaminobenzene-1,3-disulfonicacid
Show more names
1,3-Diamino-4,6-disulfonicacidMetaphenylenediaminedisulfonicacid4,6-Diaminobenzene-1,3-disulfonicaciM-Phenylenediamine-4,6-disulfonicacid3-Phenylenediamine-4,6-disulfonic acidMeta phenyldiamine 4:6 disulfonic acid
m-Phenylenediamine-4,6-disulfonic acid3-Benzenedisulfonicacid,4,6-diamino-1m-PhenyldiaminodisulfonicacidSCHEMBL427123SCHEMBL10798966YADSWTKOIHUSDX-UHFFFAOYSA-N4,6-diamino-3-benzenedisulfonicacidMFCD00035900
Database identifiers
- CAS
137-50-8- PubChem CID
- 67303
- DTXSID
DTXSID9059674- EC Number
- 205-298-8
- Nikkaji
- J76.378K
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 540.02 ℃[at · 540.02℃[at 101 325 Pa]
- Density
- 1.922 · 1.922±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- 2 · 2-8°C
- pka
- -0.57 · -0.57±0.50(Predicted)
- Water Solubility
- 1000 g/L · 1000g/L at 25℃
- LogP
- -4.49 · -4.49
- CAS DataBase Reference
- 137 · 137-50-8(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1,3-Benzenedisulfonic acid, 4,6-diamino- (137-50-8)
- 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 85.7% (6 of 7) of all reports.
Warning
H317 (14.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 4,6-diaminobenzene-1,3-disulphonic acid (EC: 205-298-8)
Hazard Classes and CategoriesSkin Sens. 1 (14.3%)
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenedisulfonic acid, 4,6-diamino-: ACTIVE
Applications
Uses4,6-Disulfo-1,3-diaminobenzene can be used to treat neurodegenerative disorders
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
0 records
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Compound notes
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