[2,2'-bi-1h-indole]-3,3'-diol, disodium salt
Basic information
- CAS
894-86-0- Standard SMILES
[Na+].[Na+].[O-]c1c(-c2[nH]c3ccccc3c2[O-])[nH]c2ccccc12- InChIKey
CMSRLFLXFXUENW-UHFFFAOYSA-L- Molecular formula
- C16H10N2Na2O2
- Average molar mass
- 308.24 g/mol
- Monoisotopic mass
- 308.05376613
Names & identifiers
- Preferred name
- [2,2'-bi-1h-indole]-3,3'-diol, disodium salt
- IUPAC
- disodium;2-(3-oxido-1H-indol-2-yl)-1H-indol-3-olate
- English name
- Vat Blue 1, Reduced
- Molecular formula
- C16H13N2NaO2
- Molecular weight
- 288.28
Names & synonyms
Disodium (2,2'-bi-1H-indole)-3,3'-diolate[2,2'-Bi-1H-indole]-3,3'-diol, disodium salt(2,2'-Bi-1H-indole)-3,3'-diol, sodium salt (1:2)DTXSID3061269(2,2'-Bi-1H-indole)-3,3'-diol, disodium saltDisodium [2,2'-bi-1H-indole]-3,3'-diolate[2,2'-Bi-1H-indole]-3,3'-diol, sodium salt (1:2)RefChem:550956DTXCID1048677Indigo White894-86-0VFK9F739AB
Show more names
Vat Blue 1, ReducedReduced Vat Blue 1C.I.Reduced Vat Blue 1C.I.Reduced Vat Blue 1:C.I.730013,3'-Bis(sodiooxy)-2,2'-bi[1H-indole]3,3'-Bis(sodiooxy)-2,2'-bi(1H-indole)disodium 2-(3-oxido-1H-indol-2-yl)-1H-indol-3-olatedisodium 2-(3-oxidanidyl-1H-indol-2-yl)-1H-indol-3-olate
Sodium 1H,1'H-[2,2'-biindole]-3,3'-bis(olate)disodium;2-(3-oxido-1H-indol-2-yl)-1H-indol-3-olateDISODIUM 1H,1'H-[2,2'-BIINDOLE]-3,3'-BIS(OLATE)UNII-VFK9F739ABEINECS 212-974-6INDIGO VAT IIINDIGO VAT IEC 212-974-6
Database identifiers
- CAS
894-86-0- PubChem CID
- 71586
- DTXSID
DTXSID3061269- UNII
- VFK9F739AB
- EC Number
- 212-974-6
- Nikkaji
- J77.642D
Properties
Computed structural properties
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Density
- 1.35 · 1.35[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 100℃
- Water Solubility
- 50 μg/L · 50μg/L at 23℃
- LogP
- -1.1 · -1.1
- FDA UNII
- 9 F739AB · VFK9F739AB
- EPA Substance Registry System
- 2 · [2,2'-Bi-1H-indole]-3,3'-diol, disodium salt (894-86-0)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- 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 20% (1 of 5) of reports.
Danger
H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: [2,2'-Bi-1H-indole]-3,3'-diol, disodium salt
[2,2'-Bi-1H-indole]-3,3'-diol, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of [2,2'-Bi-1H-indole]-3,3'-diol, sodium salt (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Disodium [2,2'-bi-1H-indole]-3,3'-diolate (EC: 212-974-6)
Hazard Classes and CategoriesSkin Corr. 1B (80%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesDye
General Manufacturing Information
Textiles, apparel, and leather manufacturing
[2,2'-Bi-1H-indole]-3,3'-diol, sodium salt (1:2): ACTIVE
Preparation methods
Preparationcommonly known as Indigo White.3H-indol-3-one,2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro- in the presence of a base reduction (with or without various stabilizers may be).
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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