2,2'-Benzidinedisulfonic acid
Basic information
- CAS
117-61-3- Standard SMILES
Nc1ccc(-c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1- InChIKey
MBJAPGAZEWPEFB-UHFFFAOYSA-N- Molecular formula
- C12H12N2O6S2
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.0136781
Overview
Leaflets or prisms or light purple powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 2,2'-Benzidinedisulfonic acid
- IUPAC
- 5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid
- English name
- 2,2'-Benzidinedisulfonic acid
- Molecular formula
- C12H12N2O6S2
- Molecular weight
- 344.36
Names & synonyms
117-61-3Benzidine-2,2'-disulfonic acid2,2'-Benzidinedisulfonic acid6,6'-Bimetanilic acid2,2'-Disulfobenzidine4,4'-Diamino-[1,1'-biphenyl]-2,2'-disulfonic acid[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-Benzidine-2,2'-disulphonic acid4,4'-Diaminobiphenyl-2,2'-disulfonic acidBenzidine, 2,2'-disulfo-4,4'-Diamino-2,2'-biphenyldisulfonic acidKyselina benzidin-2,2'-disulfonova
Show more names
BDSABENZIDINE 2,2 DISULFONIC ACID70.0%(T)2,2'-BenzidinedisulfBenzidine-2,2'-disuL2,2’-disulfo-benzidinBENZIDINEDISULPHONICACIDBiphenylaminesulfonic acid
NSC 37634,4'-Diaminodiphenyl-2,2'-disulfonic acidEINECS 204-200-0ALF643N2EQBRN 2675524AI3-220514,4'-Diamino-(1,1'-biphenyl)-2,2'-disulfonic acidKyselina benzidin-2,2'-disulfonova [Czech]
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 540
Experimental & physicochemical properties
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point347 °F (decomposes) (NTP, 1992)
Physical DescriptionLeaflets or prisms or light purple powder. (NTP, 1992)
Physicochemical properties
- Melting point
- 175 °C · 175°C
- Boiling point
- 638.25 ℃[at · 638.25℃[at 101 325 Pa]
- Density
- 1.5417 · 1.5417 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.651 · 1.6510 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- -1.85 · -1.85±0.50(Predicted)
- form
- Powder
- color
- Dark purple
- Water Solubility
- 0.1 g/100 · <0.1 g/100 mL at 20 ºC
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 19.3% (11 of 57) of reports.
Warning
H315 (10.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 04-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12572
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include eye irritation.
Reactive GroupSulfonates, Phosphonates, and Thiophosphonates, Organic
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (10.5%)
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-: ACTIVE
Applications
Uses4,4'-Diaminobiphenyl-2,2'-disulfonic acid hydrate is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff. Benzidine-2,2' -disulfonic acid is used in the production of yellow and red azo dyes.
General DescriptionLeaflets or prisms or light purple powder.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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