2-Bromo-5-chlorothiophene

C₄H₂BrClSCAS 2873-18-9197.47 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₂BrClS
Molar mass: 197.47 g/mol
Exact mass: 195.8749 Da
Density: 1.803 g/mL (at 25 °C)
Melting point: −20 °C
Boiling point: 69.5–70 °C (at 18 Torr)
logP: 3.16Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin83.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled83.3% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 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

2873-18-9

SMILES

Clc1ccc(Br)s1

InChIKey

ZFAJPWYXLYGUJU-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H

Weigh it out

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

Names and synonyms

3 names

Thiophene, 2-bromo-5-chloro-
5-Bromo-2-chlorothiophene
2-Chloro-5-bromothiophene

Work with 2-Bromo-5-chlorothiophene

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

2,5-Dichlorothiophene173777-89-458 % similar 2,5-Dibromothiophene3141-27-358 % similar 2,5-Dichlorothiophene3172-52-958 % similar 5,5'-Dibromo-2,2'-bithiophene4805-22-550 % similar 5,5''-Dibromo-[2,2':5',2"]terthiohene98057-08-048 % similar 2-Chloro-5-methylthiophene17249-82-044 % similar 2-Bromo-5-methylthiophene765-58-244 % similar 2-Chloro-5-(chloromethyl)thiophene23784-96-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-2-chlorothiophene40032-73-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook