Basic information
- CAS
2666-17-3- Standard SMILES
CC(=O)N(C)c1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
WSRPJLLCAIEYPG-UHFFFAOYSA-N- Molecular formula
- C23H19N3O6S
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 465.09945651
Overview
See other relationships...
Names & identifiers
- Preferred name
- 4-[[4-(Acetylmethylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- IUPAC
- 4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonic acid
- English name
- Acid blue 41
- Molecular formula
- C23H20N3NaO6S
- Molecular weight
- 489.48
Names & synonyms
2666-17-34-[[4-(acetylmethylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acidNSC3643624-((4-(Acetylmethylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acidSCHEMBL9173641WSRPJLLCAIEYPG-UHFFFAOYSA-N4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-dioxo-anthracene-2-sulfonic acidNS000438534-({4-[Acetyl(methyl)amino]phenyl}amino)-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acidBlue 41CI 62130Blue AM
Show more names
Acid Blue BRfenalanbluebmodrkysela41Acid Blue AMAcid blue 41superanbluearAcid Blue BRL
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 894
Physicochemical properties
- InChIKey
- VQZUANNXHLERFA-UHFFFAOYSA-N
- SMILES
- N(C1C=CC(N(C)C(=O)C)=CC=1)C1=CC(S(O)(=O)=O)=C(N)C2C(C3=CC=CC=C3C(=O)C1=2)=O.[NaH]
- CAS DataBase Reference
- 2666 · 2666-17-3
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 4-[[4-(acetylmethylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt (2666-17-3)
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
- HS Code
- 32041200 · 32041200
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 32041200
- safety_code
- 24/25
Chemistry & industry
Applications
UsesACID BLUE 41 is used for dyeing wool, silk, nylon, and their blends, and can also be directly printed on wool, silk, and nylon fabrics. It has high strength and good leveling properties, making it suitable for dyeing medium to deep shades of blue or for color mixing. When dyeing with other fibers in the same bath, nylon, silk, and wool achieve similar colors, while acetate and cellulose fibers do not stain. It can also be used for coloring leather and paper.
Preparation methods
Preparation1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid andN-(4-aminophenyl)-N-methylacetamide in copper salt and tied the presence of acid agents condensation, and then into sodium salt.
Upstream & downstream products
Upstream raw materials
Suppliers18 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Related reactions
0 records
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Compound notes
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