2,4-Dibromothiophene

C₄H₂Br₂SCAS 3140-92-9241.93 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₂Br₂S
Molar mass: 241.93 g/mol
Exact mass: 239.8244 Da
logP: 3.27Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed85.1% of notifiers
H302 Harmful if swallowed12.8% of notifiers
H312 Harmful in contact with skin10.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage85.1% of notifiers
H319 Causes serious eye irritation14.9% of notifiers
H332 Harmful if inhaled10.6% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3140-92-9

SMILES

C1=C(SC=C1Br)Br

InChIKey

WAQFYSJKIRRXLP-UHFFFAOYSA-N

InChI

InChI=1S/C4H2Br2S/c5-3-1-4(6)7-2-3/h1-2H

Weigh it out

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

Names and synonyms

1 names

Thiophene, 2,4-dibromo-

Work with 2,4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-2-methylthiophene29421-92-950 % similar 4-Bromo-2-thiophenecarboxaldehyde18791-75-846 % similar 4-Bromo-2-cyanothiophene18791-99-644 % similar 5-Bromo-3-thiophenecarboxylic acid100523-84-041 % similar 4-Bromo-2-thiophenecarboxylic acid16694-18-140 % similar 1-(4-Bromo-2-thienyl)ethan-1-one7209-11-240 % similar 1,3,5-Tribromobenzene626-39-137 % similar Methyl 4-bromothiophene-2-carboxylate62224-16-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dibromothiophene3140-93-0 3,4-Dibromothiophene3141-26-2 2,5-Dibromothiophene3141-27-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook