5,5'-Dibromo-2,2'-bithiophene

C₈H₄Br₂S₂CAS 4805-22-5324.05 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₄Br₂S₂
Molar mass: 324.05 g/mol
Exact mass: 321.8121 Da
logP: 5.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

4805-22-5

SMILES

C1=C(SC(=C1)Br)C2=CC=C(S2)Br

InChIKey

SXNCMLQAQIGJDO-UHFFFAOYSA-N

InChI

InChI=1S/C8H4Br2S2/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4H

Weigh it out

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

Work with 5,5'-Dibromo-2,2'-bithiophene

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

5,5''-Dibromo-[2,2':5',2"]terthiohene98057-08-094 % similar 2,5-Dibromothiophene3141-27-369 % similar 2-Bromo-5-phenylthiophene29488-24-264 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-160 % similar 4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole288071-87-454 % similar 2-(5-Bromo-2-thienyl)pyridine123784-07-652 % similar 2-Bromo-5-chlorothiophene2873-18-950 % similar 2-Bromo-5-methylthiophene765-58-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3'-Dibromo-2,2'-bithiophene51751-44-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook