3,5-Dibromobenzaldehyde

C₇H₄Br₂OCAS 56990-02-4263.92 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄Br₂O
Molar mass: 263.92 g/mol
Exact mass: 261.8629 Da
Melting point: 90 °C
logP: 3.02Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage85.1% of notifiers
H315 Causes skin irritation12.8% of notifiers
H319 Causes serious eye irritation12.8% of notifiers
H335 May cause respiratory irritation10.6% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

56990-02-4

SMILES

O=Cc1cc(Br)cc(Br)c1

InChIKey

ZLDMZIXUGCGKMB-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Br2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 3,5-dibromo-

Work with 3,5-Dibromobenzaldehyde

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

5-Bromoisophthalaldehyde120173-41-389 % similar 3-Bromo-5-fluorobenzaldehyde188813-02-768 % similar 3-Bromo-5-chlorobenzaldehyde188813-05-068 % similar 4-Bromobenzaldehyde1122-91-464 % similar 3-Bromo-5-methoxybenzaldehyde262450-65-761 % similar 3-Bromo-5-(trifluoromethyl)benzaldehyde477535-41-461 % similar 3-Bromobenzaldehyde3132-99-860 % similar 1,3,5-Benzenetricarboxaldehyde3163-76-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dibromobenzaldehyde67713-23-9 3,4-Dibromobenzaldehyde74003-55-7 2,5-Dibromobenzaldehyde74553-29-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook