3,4-Dibromothiophene

C4H2Br2SCAS 3141-26-2241.93 g/mol

Open in Covalent MOL file
BrSBr
Aryl halide

Properties

Molecular formula
C4H2Br2S
Molar mass
241.93 g/mol
Exact mass
239.8244 Da
Melting point
4.5 °C
Boiling point
221.5 °C
logP
3.27Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
3141-26-2
SMILES
Brc1cscc1Br
InChIKey
VGKLVWTVCUDISO-UHFFFAOYSA-N
InChI
InChI=1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H

Weigh it out

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

Names and synonyms

2 names
  • Thiophene, 3,4-dibromo-
  • NSC 99007

Work with 3,4-Dibromothiophene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-4-methylthiophene30318-99-158 % similar 3,6-Dibromothieno(3,2-b)thiophene392662-65-644 % similar 4-Bromo-3-thiophenecarboxylic acid16694-17-044 % similar 1,2,4,5-Tetrabromobenzene636-28-240 % similar 1,2-Dibromobenzene583-53-938 % similar 2,3,4-Tribromothiophene3141-25-136 % similar 4-Bromo-3-thiophenecarboxylic acid ethyl ester224449-33-635 % similar 2,3,6,7,10,11-Hexabromotriphenylene82632-80-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dibromothiophene3140-92-9 2,3-Dibromothiophene3140-93-0 2,5-Dibromothiophene3141-27-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook