1H-Indol-3-ol, 5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, 3-(hydrogen sulfate), sodium salt (1:2)
Basic information
- CAS
10134-35-7- Standard SMILES
O=S(=O)([O-])Oc1c(-c2sc3c(ccc4cccc(Cl)c43)c2OS(=O)(=O)[O-])[nH]c2ccc(Br)cc12.[Na+].[Na+]- InChIKey
IAPJNDGUDUDKRI-UHFFFAOYSA-L- Molecular formula
- C20H9BrClNNa2O8S3
- Average molar mass
- 648.8 g/mol
- Monoisotopic mass
- 646.81576
Names & identifiers
- Preferred name
- 1H-Indol-3-ol, 5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, 3-(hydrogen sulfate), sodium salt (1:2)
- IUPAC
- disodium;[5-bromo-2-(9-chloro-3-sulfonatooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] sulfate
- English name
- disodium 5-bromo-2-[9-chloro-3-(sulphonatooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl sulphate
- Molecular formula
- C20H12BrClNNaO8S3
- Molecular weight
- 628.84
Names & synonyms
EINECS 233-375-6DTXSID50649641H-Indol-3-ol, 5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, hydrogen sulfate (ester), disodium salt1H-Indol-3-ol, 5-bromo-2-(9-chloro-3-(sulfooxy)naphtho(1,2-b)thien-2-yl)-, 3-(hydrogen sulfate), sodium salt (1:2)1H-Indol-3-ol, 5-bromo-2-(9-chloro-3-(sulfooxy)naphtho(1,2-b)thien-2-yl)-, hydrogen sulfate (ester), disodium salt1H-Indol-3-ol, 5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, 3-(hydrogen sulfate), sodium salt (1:2)RefChem:438648DTXCID303262410134-35-7disodium 5-bromo-2-[9-chloro-3-(sulphonatooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl sulphatedisodium;[5-bromo-2-(9-chloro-3-sulfonatooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] sulfateDisodium 5-bromo-2-(9-chloro-3-(sulphonatooxy)naphtho(1,2-b)thien-2-yl)-1H-indol-3-yl sulphate
Show more names
C.I.73671Solasol Grey BLSAnthrasol Grey IBLSolubilised Vat Black 1
Properties
Computed structural properties
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 949
Physicochemical properties
- EPA Substance Registry System
- 1 H-Indol-3-ol, · 1H-Indol-3-ol, 5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, hydrogen sulfate (ester), disodium salt (10134-35-7)
- TSCA
- TSCA listed
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1H-Indol-3-ol, 5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, hydrogen sulfate (ester), disodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indol-3-ol, 5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, 3-(hydrogen sulfate), sodium salt (1:2): INACTIVE
Preparation methods
Preparation(a) in the presence of Pyridine , with Chlorosulfonic acid treatment C.I. Vat Black 1 leuco; (b) in the Pyridine with metal (such as copper, iron, zinc, etc) and Sulfur trioxide source (such as Sulfur trioxide, Chlorosulfonic acid or Methyl chlorosulfonate, etc.) processing C.I. Vat Black 1. The above two kinds of situation after alkaline, filter out insolubles, remove Pyridine and salting out.
Upstream & downstream products
Upstream raw materials
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