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Merck
CN

246697

1-Amino-4-bromo-2-methylanthraquinone

99%

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About This Item

Empirical Formula (Hill Notation):
C15H10BrNO2
CAS Number:
81-50-5
Molecular Weight:
316.15
EC Number:
201-355-6
MDL number:
MFCD00001221
UNSPSC Code:
12352100
PubChem Substance ID:
24854820
NACRES:
NA.22

Key Documents

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Assay

99%

form

solid

mp

245 °C (dec.) (lit.)

SMILES string

Cc1cc(Br)c2C(=O)c3ccccc3C(=O)c2c1N

InChI

1S/C15H10BrNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3

InChI key

VIQMJMDPUIBXQO-UHFFFAOYSA-N

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Application

1-Amino-4-bromo-2-methylanthraquinone has been used in the synthesis of 4-substituted 1-amino-2-methylanthraquinone derivatives:
  • 1-amino-2-methyl-4-phenylaminoanthraquinone
  • 1-amino-2-methyl-4-(3-methylphenylamino)anthraquinone
  • 1-amino-2-methyl-4-(4-methylphenylamino)anthraquinone
  • 1-amino-2-methyl-4-(1-naphthylamino)anthraquinone

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
06904CY
06618BI

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Younis Baqi et al.
Purinergic signalling, 5(1), 91-106 (2008-06-06)
Reactive blue 2 (RB-2) had been characterized as a relatively potent ectonucleoside triphosphate diphosphohydrolase (E-NTPDase) inhibitor with some selectivity for NTPDase3. In search for the pharmacophore and to analyze structure-activity relationships we synthesized a series of truncated derivatives and analogs

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