2,3,4-Tribromothiophene

C₄HBr₃SCAS 3141-25-1320.82 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄HBr₃S
Molar mass: 320.82 g/mol
Exact mass: 317.7349 Da
Melting point: 43–46 °C
Boiling point: 132–134 °C (at 10 Torr)
logP: 4.04Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation97.4% of notifiers
H319 Causes serious eye irritation97.4% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 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

3141-25-1

SMILES

Brc1csc(Br)c1Br

InChIKey

ZDXQFDMBZUQHOM-UHFFFAOYSA-N

InChI

InChI=1S/C4HBr3S/c5-2-1-8-4(7)3(2)6/h1H

Weigh it out

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

Names and synonyms

1 names

Thiophene, 2,3,4-tribromo-

Work with 2,3,4-Tribromothiophene

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

3,6-Dibromothieno(3,2-b)thiophene392662-65-645 % similar Tetrabromothiophene3958-03-043 % similar 2,3-Dibromothiophene3140-93-040 % similar 3,4-Dibromothiophene3141-26-236 % similar 1,2,4,5-Tetrabromobenzene636-28-235 % similar 3-Bromothieno(3,2-b)thiophene25121-83-934 % similar 3-Bromo-1-benzothiophene7342-82-734 % similar 2,3,5-Tribromo-4-methylthiophene67869-13-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,5-Tribromothiophene3141-24-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook