Ethyl 5-bromovalerate

C7H13BrO2CAS 14660-52-7209.08 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C7H13BrO2
Molar mass
209.08 g/mol
Exact mass
208.0099 Da
Density
1.2967 g/mL (at 20 °C)
Boiling point
102–103 °C (at 12 Torr)
logP
2.11Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 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
14660-52-7
SMILES
CCOC(=O)CCCCBr
InChIKey
AFRWBGJRWRHQOV-UHFFFAOYSA-N
InChI
InChI=1S/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3

Weigh it out

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Names and synonyms

8 names
  • Pentanoic acid, 5-bromo-, ethyl ester
  • 5-Bromopentanoic acid ethyl ester
  • Valeric acid, 5-bromo-, ethyl ester
  • Ethyl 5-bromopentanoate
  • Ethyl δ-bromovalerate
  • 5-Bromovaleric acid ethyl ester
  • 5-Bromopentanoate ethyl ester
  • NSC 310169

Work with Ethyl 5-bromovalerate

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-bromohexanoate25542-62-596 % similar Ethyl 9-bromononanoate28598-81-496 % similar Ethyl 7-bromoheptanoate29823-18-596 % similar Ethyl 8-bromooctanoate29823-21-096 % similar Ethyl 4-bromobutyrate2969-81-588 % similar Diethyl adipate141-28-676 % similar Ethyl 3-bromopropionate539-74-274 % similar Diethyl sebacate110-40-773 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 6-bromohexanoate14273-90-6 5-Bromopentyl acetate15848-22-3 2-(2-Bromoethoxy)tetrahydro-2H-pyran17739-45-6 7-Bromoheptanoic acid30515-28-7 1,1-Dimethylethyl 2-bromopropanoate39149-80-9 Methyl 2-bromohexanoate4554-19-2 1-Methylethyl 2-bromo-2-methylpropanoate51368-55-9 Methyl 2-bromohexanoate5445-19-2

Elsewhere

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