1-Bromoethyl acetate

C₄H₇BrO₂CAS 40258-78-4167.00 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₄H₇BrO₂
Molar mass: 167.00 g/mol
Exact mass: 165.9629 Da
Boiling point: 122–125 °C (at 738 Torr)
logP: 1.29Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

40258-78-4

SMILES

CC(=O)OC(C)Br

InChIKey

IIASCQBFNHWZBE-UHFFFAOYSA-N

InChI

InChI=1S/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3

Weigh it out

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

Names and synonyms

5 names

Ethanol, 1-bromo-, 1-acetate
Ethanol, 1-bromo-, acetate
α-Bromoethyl acetate
1-Acetoxyethyl bromide
(RS)-1-Acetoxyethyl bromide

Work with 1-Bromoethyl acetate

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

Isopropyl acetate108-21-454 % similar 2,3-Diacetoxybutane1114-92-754 % similar (+)-Diacetyl-L-tartaric anhydride6283-74-548 % similar Acetoin acetate4906-24-546 % similar sec-Butyl acetate105-46-445 % similar 4-Methyl-2-pentyl acetate108-84-943 % similar (S)-(-)-2-Acetoxypropionyl chloride36394-75-943 % similar (2S)-2-(Acetyloxy)propanoic acid6034-46-443 % similar

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

Same formula

Ethyl bromoacetate105-36-2 Bromoisobutyric acid2052-01-9 4-Bromobutanoic acid2623-87-2 Methyl 3-bromopropanoate3395-91-3 2-(Bromomethyl)-1,3-dioxolane4360-63-8 Methyl 2-bromopropanoate5445-17-0 2-Bromobutyric acid80-58-0 2-Bromoethyl acetate927-68-4

Elsewhere

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