Basic information
- CAS
146-68-9- Standard SMILES
O=[N+]([O-])c1ccc(-[n+]2nc(-c3ccccc3)nn2-c2ccc(I)cc2)cc1.[Cl-]- InChIKey
JORABGDXCIBAFL-UHFFFAOYSA-M- Molecular formula
- C19H13IN5O2.Cl
- Average molar mass
- 505.7 g/mol
- Monoisotopic mass
- 504.98025
Overview
Iodonitrotetrazolium chloride is an organic chloride salt having iodonitrotetrazolium as the counterion. It has a role as a histological dye. It contains an iodonitrotetrazolium.
Names & identifiers
- Preferred name
- Iodonitrotetrazolium violet
- IUPAC
- 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-3-ium chloride
- English name
- Iodonitrotetrazolium chloride
- Molecular formula
- C19H13ClIN5O2
- Molecular weight
- 505.7
Names & synonyms
Show more names
Database identifiers
- CAS
146-68-9、298-94-2- PubChem CID
- 64957
- DTXSID
DTXSID30932744- ChEMBL
CHEMBL272094- ChEBI
CHEBI:75421- UNII
- XY3JA5594E
- EC Number
- 205-676-2
Properties
Computed structural properties
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 497
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 240 °C · 240 °C (dec.)(lit.)
- storage temp.
- 2 · 2-8°C
- solubility
- methanol: water (1:1): 50 mg/mL hot, very faintly turbid, very deep yellow
- form
- Powder, Crystals and/or Chunks
- color
- White to off-white
- Appearance
- Yellow powder
- Water Solubility
- soluble
- λmax
- 248 nm · 248nm
- Sensitive
- Light Sensitive
- BRN
- 4093224 · 4093224
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Biological Applications
- Bacterial vaginosis diagnosis assay; dehydrogenase enzyme assay; diagnostic assay; food and beverage analytes assays; microbial growth assay; detecting bacteria,yeast,fungi,gamma-hydroxybutyric acid (GHB),microbial growth; measuring niacin,bacterial respiratory activity,superoxide dismutase;treating cancer
- InChI
- InChI=1S/C19H13IN5O2.ClH/c20-15-6-8-16(9-7-15)23-21-19(14-4-2-1-3-5-14)22-24(23)17-10-12-18(13-11-17)25(26)27;/h1-13H;1H/q+1;/p-1
- InChIKey
- JORABGDXCIBAFL-UHFFFAOYSA-M
- SMILES
- [N+]1(=NC(C2C=CC=CC=2)=NN1C1C=CC(I)=CC=1)C1=CC=C([N+]([O-])=O)C=C1.[Cl-]
- CAS DataBase Reference
- 146 · 146-68-9(CAS DataBase Reference)
- FDA UNII
- 3 JA5594E · XY3JA5594E
- EPA Substance Registry System
- 2 H-Tetrazolium, · 2H-Tetrazolium, 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-, chloride (146-68-9)
- UNSPSC Code
- 12352102 · 12352102
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 228 · H228-H335
- Precautionary statements
- 210 · P210-P240-P241-P261-P271-P280
- target organs
- Eyes,Central nervous system, Respiratory system
- Hazard Codes
- Xn,F,Xi
- Risk Statements
- 20 · 20/21/22-68/20/21/22-36/37/38-11
- Safety Statements
- 36 · 36/37-36/37/39-26-22-16
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- F
- 3 · 3-8-10
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29339900 · 29339900
- Storage Class
- 4.1 B · 4.1B - Flammable solid hazardous materials
- Hazard Classifications
- 1 STOT · Flam. Sol. 1STOT SE 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 21.4% (3 of 14) of reports.
Danger
H228 (14.3%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2H-Tetrazolium, 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-, chloride
2-(4-Iodophenyl)-3-(4-nitrophenyl) 5-phenyltetrazolium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin and strong eye irritant; Toxic by ingestion; May cause dermal photosensitivity sensitization and discoloration; [Alfa Aesar MSDS] No articles on photosensitization found in search for 146-68-9 AND (allergic OR dermatitis OR sensiti*); [PubMed]
Safety data
- F
- 3-8-10
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29339900
- risk_code
- 20/21/22-68/20/21/22-36/37/38-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,F,Xi
- safety_code
- 36/37-36/37/39-26-22-16
- hazard_class
- 6.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- III
- target organs
- Eyes,Central nervous system, Respiratory system
- Hazard statements
- H228-H335
- Hazard Classifications
- Flam. Sol. 1STOT SE 2STOT SE 3
- Precautionary statements
- P210-P240-P241-P261-P271-P280
Chemistry & industry
Uses & manufacturing
Applications
DescriptionIodonitrotetrazolium (INT) (chloride) is a monotetrazolium salt used as an indicator dye. It is reduced to an insoluble formazan that is used as a vital dye or indicator of cellular redox activity. Reduction commonly results from the activity of dehydrogenases, although non-enzymatic electron transfer reactions can occur in the presence of an intermediate electron acceptor. INT is commonly used to measure the respiratory activity of microorganisms in a variety of contexts.
UsesElectron acceptor for the colorimetric assay of various dehydrogenases.
UsesIodonitrotetrazolium chloride (INT) on reduction gets converted to iodonitrotetrazolium formazan, a water insoluble violet colored dye or indicator. Hence INT can be used for the colorimetric assay of various dehydrogenases.
UsesIodonitrotetrazolium chloride has been used for the staining of cells. It has been used as a coupling agent in the enzymatic assay of D-arabinitol.
Suppliers100 total
Additional notes
DefinitionChEBI: An organic chloride salt having iodonitrotetrazolium as the counterion.
Related reactions
No reaction records under the current filter.
Compound notes
Loading…