Basic information
- 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
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
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]
Database identifiers
- CAS
117-61-3- PubChem CID
- 8337
- DTXSID
DTXSID3024572- UNII
- ALF643N2EQ
- EC Number
- 204-200-0
- Nikkaji
- J5.292B
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)
Safety & regulation
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)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-: ACTIVE
Related reactions
2 records
Linked notes
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