4-Bromo-2-iodoaniline

C₆H₅BrINCAS 66416-72-6297.92 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅BrIN
Molar mass: 297.92 g/mol
Exact mass: 296.8650 Da
Melting point: 71 °C
logP: 2.64Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage95.5% of notifiers
H335 May cause respiratory irritation95.5% of notifiers
H411 Toxic to aquatic life with long lasting effects95.5% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

66416-72-6

SMILES

Nc1ccc(Br)cc1I

InChIKey

HHTYEQWCHQEJNV-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 4-bromo-2-iodo-
4-Bromo-2-iodobenzenamine
2-Iodo-4-bromoaniline
4-Bromo-2-iodophenylamine

Work with 4-Bromo-2-iodoaniline

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

4-Bromobenzene-1,2-diamine1575-37-767 % similar 4,4'-Dibromobiphenyl-2,2'-diamine136630-36-958 % similar 4,4'-Dibromo-2,2'-diiodobiphenyl852138-89-758 % similar 5-Bromo-o-toluidine39478-78-957 % similar 4-Bromo-2-methylaniline583-75-557 % similar 2,5-Dibromoaniline3638-73-156 % similar 2,4-Diiodobenzenamine533-70-056 % similar 2,4-Dibromoaniline615-57-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-iodoaniline64085-52-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook