3-Bromothiophene
Properties
- Molecular formula
- C4H3BrS
- Molar mass
- 163.03 g/mol
- Exact mass
- 161.9139 Da
- 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 vapor95.7% of notifiers
- H301 Toxic if swallowed98.9% of notifiers
- H310+H330 Fatal in contact with skin or if inhaled44.6% of notifiers
- H310 Fatal in contact with skin92.4% of notifiers
- H315 Causes skin irritation51.1% of notifiers
- H317 May cause an allergic skin reaction47.8% of notifiers
- H319 Causes serious eye irritation98.9% of notifiers
- H330 Fatal if inhaled89.1% of notifiers
- H335 May cause respiratory irritation94.6% of notifiers
- H411 Toxic to aquatic life with long lasting effects98.9% of notifiers
Aggregated from 92 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
872-31-1SMILES
Brc1ccsc1InChIKey
XCMISAPCWHTVNG-UHFFFAOYSA-NInChI
InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Thiophene, 3-bromo-
- 3-Thienyl bromide
- β-Bromothiophene
- NSC 96612
- 3-Bromothiofuran
Reactions
Work with 3-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
3-Iodothiophene10486-61-039 % similar
3-Chlorothiophene17249-80-839 % similar
3-Phenylthiophene2404-87-736 % similar
3-Thiophenecarbonitrile1641-09-435 % similar
3-Methoxythiophene17573-92-135 % similar
3-Ethylthiophene1795-01-335 % similar
3-Thiophenemethanamine27757-86-435 % similar
3-Thienylboronic acid6165-69-135 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds