12-Bromo-1-dodecanol

C₁₂H₂₅BrOCAS 3344-77-2265.23 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₂H₂₅BrO
Molar mass: 265.23 g/mol
Exact mass: 264.1089 Da
Melting point: 29 °C
Boiling point: 155–156 °C (at 4 Torr)
logP: 4.27Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 11

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Identifiers

CAS number

3344-77-2

SMILES

OCCCCCCCCCCCCBr

InChIKey

ASIDMJNTHJYVQJ-UHFFFAOYSA-N

InChI

InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2

Weigh it out

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

Names and synonyms

2 names

1-Dodecanol, 12-bromo-
1-Bromo-12-dodecanol

Work with 12-Bromo-1-dodecanol

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 11-Bromo-1-undecanol1611-56-9100 % 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

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