7-Bromo-1-heptanol

C₇H₁₅BrOCAS 10160-24-4195.10 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₇H₁₅BrO
Molar mass: 195.10 g/mol
Exact mass: 194.0306 Da
Boiling point: 108 °C (at 1 Torr)
logP: 2.32Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 6

Hazards

Warning

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

10160-24-4

SMILES

OCCCCCCCBr

InChIKey

MMXRRNUXCHUHOE-UHFFFAOYSA-N

InChI

InChI=1S/C7H15BrO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2

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Names and synonyms

2 names

1-Heptanol, 7-bromo-
7-Bromoheptanol

Work with 7-Bromo-1-heptanol

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

13-Bromo-1-tridecanol116754-58-6100 % similar 11-Bromo-1-undecanol1611-56-9100 % 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

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