4,4'-Dibromobiphenyl-2,2'-diamine

C₁₂H₁₀Br₂N₂CAS 136630-36-9342.03 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₂H₁₀Br₂N₂
Molar mass: 342.03 g/mol
Exact mass: 339.9211 Da
logP: 4.04Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

136630-36-9

SMILES

C1=CC(=C(C=C1Br)N)C2=C(C=C(C=C2)Br)N

InChIKey

KZDMFBDNQPKWNM-UHFFFAOYSA-N

InChI

InChI=1S/C12H10Br2N2/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H,15-16H2

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Names and synonyms

1 names

2,2'-Diamino-4,4'-dibromobiphenyl

Work with 4,4'-Dibromobiphenyl-2,2'-diamine

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-diamine1575-37-768 % similar 2,5-Dibromoaniline3638-73-163 % similar 5-Bromo-2-fluorobenzenamine2924-09-658 % similar 5-Bromo-o-toluidine39478-78-958 % similar 2-Amino-4-bromophenol40925-68-658 % similar 5-Bromo-2-chloroaniline60811-17-858 % similar 5-Bromo-2-iodoaniline64085-52-558 % similar 4-Bromo-2-iodoaniline66416-72-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4'-Bis(bromomethyl)-2,2'-bipyridine134457-14-0

Elsewhere

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