1,12-Dibromododecane

C₁₂H₂₄Br₂CAS 3344-70-5328.13 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₂H₂₄Br₂
Molar mass: 328.13 g/mol
Exact mass: 326.0245 Da
Melting point: 41 °C
Boiling point: 215 °C (at 15 Torr)
logP: 5.68Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 11

Hazards

Danger

H301 Toxic if swallowed12.5% of notifiers
H302 Harmful if swallowed37.5% of notifiers
H315 Causes skin irritation12.5% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation12.5% of notifiers

Aggregated from 8 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3344-70-5

SMILES

BrCCCCCCCCCCCCBr

InChIKey

ZJJATABWMGVVRZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H24Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2

Weigh it out

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

Names and synonyms

3 names

Dodecane, 1,12-dibromo-
α,ω-Dibromododecane
Dodecamethylene dibromide

Work with 1,12-Dibromododecane

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

1,5-Dibromopentane111-24-0100 % similar 1,11-Dibromoundecane16696-65-4100 % similar 1,10-Dibromodecane4101-68-2100 % similar 1,16-Dibromohexadecane45223-18-5100 % similar 1,7-Dibromoheptane4549-31-9100 % similar 1,8-Dibromooctane4549-32-0100 % similar 1,9-Dibromononane4549-33-1100 % similar 1,6-Dibromohexane629-03-8100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook