Basic information
- CAS
2786-71-2- Standard SMILES
Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O- InChIKey
OPBOOIFXQHPAPJ-UHFFFAOYSA-N- Molecular formula
- C20H14N2O5S
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.06234272
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-2-anthracenesulfonic acid
- IUPAC
- 1-amino-4-anilino-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-amino-4-anilino-9,10-dihydro-9,10-dioxo-2-anthracenesulphonic acid
- Molecular formula
- C20H14N2O5S
- Molecular weight
- 394.4
Names & synonyms
2786-71-2C.I. Acid Blue 25 free acid1-Amino-4-anilino-9,10-dihydro-9,10-dioxo-2-anthracenesulphonic acidP44R6G887XC.I. 62055DTXSID90450551-Amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-2-anthracenesulfonic acidAB25 dyeRefChem:552558DTXCID7025055220-508-82-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-
Show more names
1-Amino-4-anilino-2-anthraquinonesulfonic acid1-Amino-4-anilino-9,10-dioxo-2-anthracenesulfonic acid1-amino-4-(anilino)-9,10-dioxoanthracene-2-sulfonic acid1-amino-4-(anilino)-9,10-diketo-anthracene-2-sulfonic acid1-azanyl-9,10-dioxo-4-(phenylamino)anthracene-2-sulfonic acid1-Amino-4-anilino-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid1-Amino-4-anilino-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid1-amino-4-anilino-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid1-amino-9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 727
Experimental & physicochemical properties
Collision Cross Section191.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2044711]
Physicochemical properties
- Density
- 1.576 · 1.576±0.06 g/cm3(Predicted)
- pka
- -1.21 · -1.21±0.20(Predicted)
- FDA UNII
- 44 R6G887X · P44R6G887X
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)- (2786-71-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- 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
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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