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CAS No.: | 116-81-4 |
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Name: | Bromaminic acid |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C14H8BrNO5S |
Molecular Weight: | 382.191 |
Synonyms: | 1-Amino-4-bromoanthraquinone-2-sulfonic acid;2-Anthraquinonesulfonicacid, 1-amino-4-bromo- (6CI);1-Amino-2-sulfonato-4-bromo-9,10-anthraquinone;NSC 7574;Alizarine Cyanol Grey G; |
EINECS: | 204-159-9 |
Density: | 1.908 g/cm3 |
Melting Point: | ca 280℃ |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
PSA: | 122.91000 |
LogP: | 3.71540 |
1-aminoanthraquinone-2-sulfonic acid
1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
Conditions | Yield |
---|---|
With bromine In water at 53 - 55℃; for 1.5h; Temperature; Large scale; | 96.6% |
With hydrogenchloride; bromine; sodium chloride |
1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
Conditions | Yield |
---|---|
With sodium hydroxide In water at 90℃; for 8h; pH=8; | 92% |
phosgene
2-(3-amino-4-sulfo-benzoyl)-benzoic acid
1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
Conditions | Yield |
---|---|
man erwaermt das erhaltene Harnstoff-Derivat mit Brom in essigsaurer Loesung und erhitzt das Reaktionsprodukt mit rauchender Schwefelsaeure auf 130-135grad; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: copper(II) sulfate / 1,2-dichloro-ethane / Large scale 1.2: 3 h / 83 - 85 °C / Large scale 2.1: bromine / water / 1.5 h / 53 - 55 °C / Large scale View Scheme | |
With sulfuric acid at 120℃; Behandeln des Reaktionsprodukts mit Brom in Wasser; | |
Multi-step reaction with 3 steps 1: sulfuric acid; sodium sulfate / 1,2-dichloro-benzene / 3 h / 150 °C 2: iodine; bromine / 1,2-dichloro-benzene / 8 h / 80 °C 3: sodium hydroxide / water / 8 h / 90 °C / pH 8 View Scheme |
sulfuric acid
1-amino-9,10-anthracenedione
1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
Conditions | Yield |
---|---|
at 120℃; Behandeln der entstandenen Sulfonsaeure mit Bromwasser; |
2-(4'-chloro-3'-nitrobenzoyl)benzoic acid
1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium sulfite / nachfolgend Reduktion 2: man erwaermt das erhaltene Harnstoff-Derivat mit Brom in essigsaurer Loesung und erhitzt das Reaktionsprodukt mit rauchender Schwefelsaeure auf 130-135grad View Scheme |
2-amino-6-nitrobenzothiazole
1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
1-amino-4-[(6-nitro-2-benzothiazolyl)amino]-9,10-anthraquinone-2-sulfonic acid
Conditions | Yield |
---|---|
With copper; potassium carbonate; copper(II) sulfate In water at 90℃; for 4h; | 98% |
1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
4,4'-diamino-1,1'-dianthraquinonyl-3,3'-disulfonic acid
Conditions | Yield |
---|---|
With copper(II) stearate; copper In N,N-dimethyl-formamide at 95℃; for 10h; | 96.8% |
With alkaline solution; copper | |
With Fe3O4(att)SiO2-Au/Cu magnetic nanoparticles In water at 90℃; for 2h; Catalytic behavior; Reagent/catalyst; Temperature; Time; Inert atmosphere; |
1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
sodium 1-amino-4-bromoanthraquinone-2-sulfonate
Conditions | Yield |
---|---|
With sodium sulfite In water at 90℃; Large scale; | 95.3% |
1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
3-<(hydroxyethyl)sulfonyl>aniline hydrochloride
Conditions | Yield |
---|---|
Stage #1: 1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid; 3-<(hydroxyethyl)sulfonyl>aniline hydrochloride With sodium hydrogencarbonate; lithium hydroxide In water at 20 - 60℃; Stage #2: With D-glucose; copper(II) sulfate In water at 60℃; for 5h; Stage #3: With sulfuric acid In water at 60℃; | 90% |
With copper(ll) sulfate pentahydrate; 2,3,4,5,6-pentahydroxy-hexanal; sodium hydrogencarbonate; lithium hydroxide In water at 60℃; | 90% |
Molecule structure of Bromaminic acid (CAS NO.116-81-4):
IUPAC Name: 1-Amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid
Molecular Weight: 382.18602 g/mol
Molecular Formula: C14H8BrNO5S
Density: 1.908 g/cm3
Index of Refraction: 1.737
Molar Refractivity: 80.58 cm3
Molar Volume: 200.3 cm3
Polarizability: 31.94×10-24 cm3
Surface Tension: 85.3 dyne/cm
XLogP3-AA: 2.2
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 380.930656
MonoIsotopic Mass: 380.930656
Topological Polar Surface Area: 115
Heavy Atom Count: 22
Complexity: 601
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br
InChI: InChI=1S/C14H8BrNO5S/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18/h1-5H,16H2,(H,19,20,21)
InChIKey: QZZSAWGVHXXMID-UHFFFAOYSA-N
EINECS of Bromaminic acid (CAS NO.116-81-4): 204-159-9
Bromaminic acid (CAS NO.116-81-4) is also named as 1-Amino-4-bromo-2-anthraquinonesulfonic acid ; Alizarine Cyanol Grey G ; Alizarine Cyanol Grey G (VAN) ; Bromamine acid ; NSC 7574 ; 1-Amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid ; 2-Anthracenesulfonic acid, 1-amino-4-bromo- ; 2-Anthracenesulfonic acid, 1-amino-4-bromo-9,10-dihydro-
9,10-dioxo- .