1-Bromodocosane

C₂₂H₄₅BrCAS 6938-66-5389.51 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₄₅Br
Molar mass: 389.51 g/mol
Exact mass: 388.2705 Da
Melting point: 44 °C
Boiling point: 225 °C (at 0.8 Torr)
logP: 9.20Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 20

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

6938-66-5

SMILES

CCCCCCCCCCCCCCCCCCCCCCBr

InChIKey

QYOXLKAKUAASNA-UHFFFAOYSA-N

InChI

InChI=1S/C22H45Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3

Weigh it out

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Names and synonyms

5 names

Docosane, 1-bromo-
Docosyl bromide
Behenyl bromide
NSC 53991
S 71281

Work with 1-Bromodocosane

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-Bromohexane111-25-1100 % similar 1-Bromooctane111-83-1100 % similar 1-Bromodecane112-29-8100 % similar 1-Bromotetradecane112-71-0100 % similar 1-Bromohexadecane112-82-3100 % similar 1-Bromooctadecane112-89-0100 % similar 1-Bromododecane143-15-7100 % similar 1-Bromoheptadecane3508-00-7100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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