Tetrabromothiophene
Properties
- Molecular formula
- C4Br4S
- Molar mass
- 399.72 g/mol
- Exact mass
- 395.6454 Da
- Melting point
- 117.5 °C
- Boiling point
- 326 °C
- logP
- 4.80Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled12.5% of notifiers
- H302 Harmful if swallowed25% of notifiers
- H312 Harmful in contact with skin25% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled25% of notifiers
- H335 May cause respiratory irritation87.5% of notifiers
Aggregated from 8 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
3958-03-0SMILES
Brc1sc(Br)c(Br)c1BrInChIKey
AVPWUAFYDNQGNZ-UHFFFAOYSA-NInChI
InChI=1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Thiophene, 2,3,4,5-tetrabromo-
- Thiophene, tetrabromo-
- 2,3,4,5-Tetrabromothiophene
- NSC 65427
Work with Tetrabromothiophene
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
2,3,5-Tribromo-4-methylthiophene67869-13-058 % similar
2,3,4-Tribromothiophene3141-25-143 % similar
Hexabromobenzene87-82-138 % similar
2,5-Dibromo-3,4-ethylenedioxythiophene174508-31-738 % similar
2,5-Dibromothiophene-3,4-dicarboxylic acid190723-12-733 % similar
2,5-Dibromo-3,4-dinitrothiophene52431-30-833 % similar
2,3,5-Tribromothiophene3141-24-030 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.