Ethyl 9-bromononanoate

C11H21BrO2CAS 28598-81-4265.19 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C11H21BrO2
Molar mass
265.19 g/mol
Exact mass
264.0725 Da
Boiling point
150–154 °C (at 10 Torr)
logP
3.68Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
28598-81-4
SMILES
CCOC(=O)CCCCCCCCBr
InChIKey
KXZBPLOPBKIUTC-UHFFFAOYSA-N
InChI
InChI=1S/C11H21BrO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h2-10H2,1H3

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Names and synonyms

2 names
  • Nonanoic acid, 9-bromo-, ethyl ester
  • Disodium acetylide

Work with Ethyl 9-bromononanoate

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

Ethyl 6-bromohexanoate25542-62-5100 % similar Ethyl 7-bromoheptanoate29823-18-5100 % similar Ethyl 8-bromooctanoate29823-21-0100 % similar Ethyl 5-bromovalerate14660-52-796 % similar Ethyl 4-bromobutyrate2969-81-585 % similar Diethyl sebacate110-40-777 % similar Diethyl pimelate2050-20-677 % similar Diethyl suberate2050-23-977 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl-2,2-dimethyl-7-bromoheptanoate123469-92-1 11-Bromoundecanoic acid2834-05-1

Elsewhere

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