2''-Bromo-[1,1';4',1'']terphenyl

C₁₈H₁₃BrCAS 3282-24-4309.21 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₈H₁₃Br
Molar mass: 309.21 g/mol
Exact mass: 308.0201 Da
logP: 5.78Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed92.7% of notifiers
H315 Causes skin irritation92.7% of notifiers
H319 Causes serious eye irritation92.7% of notifiers
H335 May cause respiratory irritation92.7% of notifiers
H400 Very toxic to aquatic life92.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects92.7% of notifiers

Aggregated from 41 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3282-24-4

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3Br

InChIKey

RIPZAKKOEJWWQD-UHFFFAOYSA-N

InChI

InChI=1S/C18H13Br/c19-18-9-5-4-8-17(18)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H

Weigh it out

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

Work with 2''-Bromo-[1,1';4',1'']terphenyl

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-Bromobiphenyl2052-07-589 % similar 2-Bromo-4'-chloro-1,1'-biphenyl179526-95-564 % similar 2,2'-Dibromobiphenyl13029-09-960 % similar 1-Bromo-8-phenylnaphthalene1121545-24-156 % similar 2,4-Dibromobiphenyl53592-10-256 % similar O-Terphenyl84-15-155 % similar para-Quaterphenyl135-70-653 % similar P-Quinquephenyl3073-05-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3,5-diphenylbenzene103068-20-8 4-Bromo-P-terphenyl1762-84-1 1-Bromo-3-(4-phenylphenyl)benzene1762-87-4 4-Bromo-M-terphenyl54590-37-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook