3,4-Dibromobenzenamine

C₆H₅Br₂NCAS 615-55-4250.92 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
Melting point: 221 °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 swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

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

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

615-55-4

SMILES

Nc1ccc(Br)c(Br)c1

InChIKey

QFTJOYLPELHHCO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 3,4-dibromo-
Aniline, 3,4-dibromo-
3,4-Dibromoaniline

Work with 3,4-Dibromobenzenamine

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-Amino-2-bromophenol16750-67-760 % similar 4-Bromo-3-chloroaniline21402-26-660 % similar 3-Bromo-4-fluorobenzenamine656-64-460 % similar 4-Bromo-3-fluoroaniline656-65-560 % similar 4-Bromo-3-methylaniline6933-10-460 % similar 3-Bromo-4-methylaniline7745-91-760 % similar 3-Bromo-4-chloroaniline823-54-160 % similar 4-Bromo-3-methoxyaniline19056-40-754 % 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 2,6-Dibromoaniline608-30-0

Elsewhere

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