1-Amino-4-bromoanthraquinone

C₁₄H₈BrNO₂CAS 81-62-9302.13 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₁₄H₈BrNO₂
Molar mass: 302.13 g/mol
Exact mass: 300.9738 Da
logP: 2.81Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

81-62-9

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)Br)N

InChIKey

JOVRIPGYHSRFFR-UHFFFAOYSA-N

InChI

InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1-Amino-4-bromo anthraquinone

Work with 1-Amino-4-bromoanthraquinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Disperse violet 1128-95-076 % similar 1-Amino-4-hydroxyanthraquinone116-85-861 % similar 1-Amino-2,4-dibromo-9,10-anthracenedione81-49-259 % similar 1-Aminoanthraquinone82-45-159 % similar 1-Methylamino-4-bromoanthraquinone128-93-856 % similar 1,5-Diaminoanthraquinone129-44-255 % similar 1,2-Diaminoanthraquinone1758-68-554 % similar Disperse blue 12475-45-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(4-Bromo-3-formylphenoxy)benzonitrile906673-54-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook