2-Amino-3,5-dibromobenzoic acid

C₇H₅Br₂NO₂CAS 609-85-8294.93 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₅Br₂NO₂
Molar mass: 294.93 g/mol
Exact mass: 292.8687 Da
Melting point: 235–235.5 °C
logP: 2.49Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

609-85-8

SMILES

Nc1c(Br)cc(Br)cc1C(=O)O

InChIKey

WNABMWFLKQEGCP-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Br2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 2-amino-3,5-dibromo-
Anthranilic acid, 3,5-dibromo-
3,5-Dibromoanthranilic acid
NA 693
NSC 886

Work with 2-Amino-3,5-dibromobenzoic acid

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

2-Amino-3-bromo-5-methylbenzoic acid13091-43-567 % similar 2-Amino-5-bromo-3-methylbenzoic acid206548-13-267 % similar 2-Amino-3-bromo-5-fluorobenzoic acid259269-84-667 % similar 2-Amino-5-bromo-3-fluorobenzoic acid874784-14-267 % similar 3,5-Dibromosalicylic acid3147-55-563 % similar 2-Amino-3-bromobenzoic acid20776-51-660 % similar 2,4,6-Tribromobenzoic acid633-12-558 % similar 2,5-Dibromobenzoic acid610-71-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-3,5-dibromobenzoic acid4123-72-2 4-Bromo-2-nitrobenzyl bromide82420-34-6

Elsewhere

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