2-Bromothiophene
Properties
- Molecular formula
- C4H3BrS
- Molar mass
- 163.03 g/mol
- Exact mass
- 161.9139 Da
- Density
- 1.6284 g/mL (at 20 °C)
- Melting point
- below 25 °C
- Boiling point
- 150 °C
- logP
- 2.51Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H300 Fatal if swallowed74.4% of notifiers
- H301 Toxic if swallowed25.6% of notifiers
- H310 Fatal in contact with skin26.9% of notifiers
- H315 Causes skin irritation29.5% of notifiers
- H318 Causes serious eye damage70.5% of notifiers
- H319 Causes serious eye irritation29.5% of notifiers
- H330 Fatal if inhaled24.4% of notifiers
Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1003-09-4SMILES
Brc1cccs1InChIKey
TUCRZHGAIRVWTI-UHFFFAOYSA-NInChI
InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Thiophene, 2-bromo-
- 2-Thienyl bromide
- NSC 4456
Work with 2-Bromothiophene
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
2,2'-Bithiophene492-97-745 % similar
2,5-Dibromothiophene3141-27-340 % similar
2-Thienylboronic acid6165-68-040 % similar
Tris(2-thienyl)phosphine24171-89-939 % similar
2-Methylthiophene554-14-339 % similar
2,2′-Dithiobis[thiophene]6911-51-939 % similar
2-Chlorothiophene96-43-539 % similar
Terthiophene1081-34-138 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds