1-Methylethyl 2-bromo-2-methylpropanoate

C₇H₁₃BrO₂CAS 51368-55-9209.08 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₇H₁₃BrO₂
Molar mass: 209.08 g/mol
Exact mass: 208.0099 Da
logP: 2.11Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H317 May cause an allergic skin reaction12.5% of notifiers
H340 May cause genetic defects12.5% of notifiers
H411 Toxic to aquatic life with long lasting effects12.5% of notifiers

Aggregated from 64 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

51368-55-9

SMILES

CC(C)OC(=O)C(C)(C)Br

InChIKey

UNZJYKKJZGIFCG-UHFFFAOYSA-N

InChI

InChI=1S/C7H13BrO2/c1-5(2)10-6(9)7(3,4)8/h5H,1-4H3

Weigh it out

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

Names and synonyms

7 names

Propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester
Propionic acid, 2-bromo-2-methyl-, isopropyl ester
Isopropyl α-bromoisobutyrate
Isopropyl 2-bromoisobutyrate
2-Bromo-2-methylpropanoic acid isopropyl ester
Isopropyl 2-bromo-2-methylpropanoate
Isopropyl 2-bromo-2-methylpropionate

Work with 1-Methylethyl 2-bromo-2-methylpropanoate

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

Methyl 2-bromo-2-methylpropanoate23426-63-354 % similar 1,1-Dimethylethyl 2-bromo-2-methylpropanoate23877-12-552 % similar Isopropyl trifluoroacetate400-38-452 % similar Ethyl 2-bromoisobutyrate600-00-048 % similar Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate115118-68-843 % similar Diisopropyl carbonate6482-34-441 % similar Bromopropylate18181-80-140 % similar 2-Bromoisobutyryl bromide20769-85-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 6-bromohexanoate14273-90-6 Ethyl 5-bromovalerate14660-52-7 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 Methyl 2-bromohexanoate5445-19-2

Elsewhere

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