4,4''-Dibromo-P-terphenyl

C₁₈H₁₂Br₂CAS 17788-94-2388.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₂Br₂
Molar mass: 388.10 g/mol
Exact mass: 385.9306 Da
logP: 6.55Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation97.6% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers
H400 Very toxic to aquatic life97.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

17788-94-2

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br

InChIKey

VAIPJQIPFPRJKJ-UHFFFAOYSA-N

InChI

InChI=1S/C18H12Br2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H

Weigh it out

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

Work with 4,4''-Dibromo-P-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

4,4′-Dibromobiphenyl92-86-4100 % similar 1,3,5-Tris(4-bromophenyl)benzene7511-49-180 % similar 1,4-Dibromobenzene106-37-675 % similar 4-Bromo-P-terphenyl1762-84-175 % similar 4-Bromobiphenyl92-66-075 % similar 4-Bromo-4'-hydroxybiphenyl29558-77-871 % similar 4-Bromo-4'-iodobiphenyl105946-82-567 % similar 4-(4-Bromophenyl)pyridine39795-60-367 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3''-Dibromo-1,1':3',1''-terphenyl95962-62-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook