2,6-Dibromoaniline

C₆H₅Br₂NCAS 608-30-0250.92 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅Br₂N
Molar mass: 250.92 g/mol
Exact mass: 248.8789 Da
Density: 1.76 g/mL
Melting point: 87.5 °C
Boiling point: 263 °C
logP: 2.79Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed16.7% of notifiers
H311 Toxic in contact with skin10.4% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction81.2% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation95.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

608-30-0

SMILES

Nc1c(Br)cccc1Br

InChIKey

XIRRDAWDNHRRLB-UHFFFAOYSA-N

InChI

InChI=1S/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2,6-dibromo-
Aniline, 2,6-dibromo-
2,6-Dibromobenzenamine
NSC 305

Work with 2,6-Dibromoaniline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,6-Dibromo-1,2-benzenediamine69272-50-071 % similar 2-Amino-3-bromophenol116435-77-964 % similar 2-Bromo-6-methylaniline53848-17-264 % similar 2-Bromo-6-fluorobenzenamine65896-11-964 % similar 2-Amino-3-bromobenzonitrile114344-60-456 % similar 2,6-Dibromo-4-chloroaniline874-17-955 % similar 2,4,6-Tribromoaniline147-82-052 % similar 4-Amino-3,5-dibromopyridine84539-34-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dibromo-6-methylpyridine261373-04-0 2,3-Dibromo-5-methylpyridine29232-39-1 2,5-Dibromo-3-methylpyridine3430-18-0 3,5-Dibromo-4-methylpyridine3430-23-7 2,5-Dibromo-4-methylpyridine3430-26-0 2,5-Dibromoaniline3638-73-1 3,6-Dibromo-2-methylpyridine39919-65-8 3,4-Dibromobenzenamine615-55-4

Elsewhere

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