Basic information
- CAS
59800-32-7- Standard SMILES
C=C(Br)C(=O)Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)[O-])c1.[Na+].[Na+]- InChIKey
BCENAVMKNRCXMQ-UHFFFAOYSA-L- Molecular formula
- C23H14BrN3Na2O9S2
- Average molar mass
- 666.4 g/mol
- Monoisotopic mass
- 664.91502169
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 1-amino-4-((4-((2-bromo-1-oxo-2-propen-1-yl)amino)-2-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
- IUPAC
- disodium;1-amino-4-[4-(2-bromoprop-2-enoylamino)-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
- English name
- Reactive Blue 69
- Molecular formula
- C23H14BrN3Na2O9S2
- Molecular weight
- 666.3855
Names & synonyms
70209-99-3EINECS 274-397-6DTXSID20889995Reactive Blue 692-Anthracenesulfonic acid, 1-amino-4-((4-((2-bromo-1-oxo-2-propen-1-yl)amino)-2-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)2-Anthracenesulfonic acid, 1-amino-4-[[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)RefChem:8545159800-32-7DTXCID101078906611-890-02-Anthracenesulfonic acid, 1-amino-4-((4-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt2-Anthracenesulfonic acid, 1-amino-4-[[4-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt
Show more names
C.I.Reactive Blue 69:C.I.612037
Sodium 1-amino-4-((4-(2-bromoacrylamido)-2-sulfonatophenyl)amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonateC.I.Reactive Blue 69SCHEMBL15901552SCHEMBL29462119NS00062010Disodium 1-amino-4-((4-((2-bromo-1-oxoallyl)amino)-2-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonateDisodium 1-amino-4-[4-(2-bromoprop-2-enamido)-2-sulfonatoanilino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonateSodium1-amino-4-((4-(2-bromoacrylamido)-2-sulfonatophenyl)amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Properties
Computed structural properties
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,190
Experimental & physicochemical properties
Food AdditivesDevices -> FDA Regulatory Status of Color Additives
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 67.9% (19 of 28) of all reports.
Warning
H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Anthracenesulfonic acid, 1-amino-4-[[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
Status: Active Update: 21-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19370
2-Anthracenesulfonic acid, 1-amino-4-4-(2-bromo-1-oxo-2-propenyl)amino-2-sulfophenylamino-9,10-dihydro-9,10-dioxo-, disodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (28.6%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-[[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2): ACTIVE
Preparation methods
Preparation1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid and 2-Amino-5-(2-bromoacrylamido)benzenesulfonic acid condensation.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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