4-Bromomethyltetrahydropyran

C6H11BrOCAS 125552-89-8179.06 g/mol

Open in Covalent MOL file
OBr
Alkyl halideEther

Properties

Molecular formula
C6H11BrO
Molar mass
179.06 g/mol
Exact mass
177.9993 Da
logP
1.81Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
125552-89-8
SMILES
C1COCCC1CBr
InChIKey
LMOOYAKLEOGKJR-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BrO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2

Weigh it out

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

Names and synonyms

1 names
  • 4-(Bromomethyl)oxane

Work with 4-Bromomethyltetrahydropyran

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

3-(Bromomethyl)tetrahydrofuran165253-29-270 % similar (Bromomethyl)cyclopropane7051-34-559 % similar 4-(2-Bromoethyl)-tetrahydropyran4677-20-757 % similar (Bromomethyl)cyclobutane17247-58-453 % similar (Bromomethyl)cyclopentane3814-30-053 % similar Cyclohexylmethyl bromide2550-36-950 % similar 4-(Iodomethyl)tetrahydro-2H-pyran101691-94-545 % similar 4-Aminomethyltetrahydropyran130290-79-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromohexan-2-one10226-29-6 2-(Bromomethyl)tetrahydro-2H-pyran34723-82-5 Bromopinacolone5469-26-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook