1,6-Diethyl 2,5-dibromohexanedioate

C₁₀H₁₆Br₂O₄CAS 869-10-3360.04 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₀H₁₆Br₂O₄
Molar mass: 360.04 g/mol
Exact mass: 357.9415 Da
Density: 1.5501 g/mL (at 20 °C)
Melting point: 75 °C
Boiling point: 195 °C (at 10 Torr)
logP: 2.42Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 7

Hazards

Danger

H314 Causes severe skin burns and eye damage97.9% of notifiers
H335 May cause respiratory irritation85.4% of notifiers

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

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

869-10-3

SMILES

CCOC(=O)C(Br)CCC(Br)C(=O)OCC

InChIKey

UBCNJHBDCUBIPB-UHFFFAOYSA-N

InChI

InChI=1S/C10H16Br2O4/c1-3-15-9(13)7(11)5-6-8(12)10(14)16-4-2/h7-8H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

7 names

Hexanedioic acid, 2,5-dibromo-, 1,6-diethyl ester
Hexanedioic acid, 2,5-dibromo-, diethyl ester
Diethyl 2,5-dibromoadipate
Diethyl 2,5-dibromohexanedioate
Diethyl α,α′-dibromoadipate
2,5-Dibromohexanedioic acid diethyl ester
NSC 49144

Work with 1,6-Diethyl 2,5-dibromohexanedioate

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 α-bromovalerate615-83-881 % similar Ethyl 2,4-dibromobutyrate36847-51-579 % similar Ethyl 2-bromohexanoate615-96-376 % similar Ethyl α-bromobutyrate533-68-674 % similar Ethyl 2,3-dibromopropanoate3674-13-371 % similar Ethyl 2-bromotetradecanoate14980-92-871 % similar Ethyl 2-bromooctanoate5445-29-471 % similar Diethyl bromomalonate685-87-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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