11-Bromo-1-undecanol

C11H23BrOCAS 1611-56-9251.21 g/mol

Open in Covalent MOL file
HOBr
AlcoholAlkyl halide

Properties

Molecular formula
C11H23BrO
Molar mass
251.21 g/mol
Exact mass
250.0932 Da
Melting point
44–46 °C
Boiling point
134–136 °C (at 0.3 Torr)
logP
3.88Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
1611-56-9
SMILES
OCCCCCCCCCCCBr
InChIKey
XFGANBYCJWQYBI-UHFFFAOYSA-N
InChI
InChI=1S/C11H23BrO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2

Weigh it out

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Names and synonyms

9 names
  • 1-Undecanol, 11-bromo-
  • 11-Bromoundecanyl alcohol
  • 11-Bromoundecan-1-ol
  • 11-Bromo-1-hydroxyundecane
  • 1-Bromo-11-hydroxyundecane
  • ω-Bromoundecyl alcohol
  • 1-Bromo-11-undecanol
  • NSC 4029
  • 11-Bromoundecanol

Work with 11-Bromo-1-undecanol

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

7-Bromo-1-heptanol10160-24-4100 % similar 13-Bromo-1-tridecanol116754-58-6100 % similar 12-Bromo-1-dodecanol3344-77-2100 % similar 5-Bromo-1-pentanol34626-51-2100 % similar 6-Bromo-1-hexanol4286-55-9100 % similar 8-Bromo-1-octanol50816-19-8100 % similar 10-Bromo-1-decanol53463-68-6100 % similar 9-Bromononanol55362-80-6100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook