5-Bromo-2-chlorobenzaldehyde

C7H4BrClOCAS 189628-37-3219.46 g/mol

Open in Covalent MOL file
OBrCl
AldehydeAryl halide

Properties

Molecular formula
C7H4BrClO
Molar mass
219.46 g/mol
Exact mass
217.9134 Da
Melting point
43–46 °C
logP
2.92Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
189628-37-3
SMILES
O=Cc1cc(Br)ccc1Cl
InChIKey
DPKKRQAEYWOISP-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrClO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H

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Names and synonyms

1 names
  • Benzaldehyde, 5-bromo-2-chloro-

Work with 5-Bromo-2-chlorobenzaldehyde

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-Dichlorobenzaldehyde6361-23-560 % similar 2,5-Dibromobenzaldehyde74553-29-060 % similar 5-Bromosalicylaldehyde1761-61-156 % similar 5-Bromosalicylaldehyde17691-61-156 % similar 2-Amino-5-bromobenzaldehyde29124-57-056 % similar 2-Chloro-5-fluorobenzaldehyde84194-30-956 % similar 5-Bromo-2-methylbenzaldehyde90050-59-256 % similar 5-Bromo-2-fluorobenzaldehyde93777-26-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3-chlorobenzaldehyde120077-69-2 4-Bromo-2-chlorobenzaldehyde158435-41-7 3-Bromobenzoyl chloride1711-09-7 2-Bromo-5-chlorobenzaldehyde174265-12-4 3-Bromo-5-chlorobenzaldehyde188813-05-0 4-Bromobenzoyl chloride586-75-4 2-Bromo-6-chlorobenzaldehyde64622-16-8 2-Bromobenzoyl chloride7154-66-7

Elsewhere

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