Ethyl 2-bromoisobutyrate
Properties
- Molecular formula
- C6H11BrO2
- Molar mass
- 195.06 g/mol
- Exact mass
- 193.9942 Da
- Boiling point
- 163 °C
- logP
- 1.72Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor97.5% of notifiers
- H302 Harmful if swallowed50.6% of notifiers
- H317 May cause an allergic skin reaction40.7% of notifiers
- H318 Causes serious eye damage91.4% of notifiers
- H340 May cause genetic defects40.7% of notifiers
Aggregated from 81 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
600-00-0SMILES
CCOC(=O)C(C)(C)BrInChIKey
IOLQWGVDEFWYNP-UHFFFAOYSA-NInChI
InChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
18 names · show all
- Propanoic acid, 2-bromo-2-methyl-, ethyl ester
- Propionic acid, 2-bromo-2-methyl-, ethyl ester
- Isobutyric acid, α-bromo-, Et ester
- Ethyl α-bromoisobutyrate
- Ethyl 2-bromo-2-methylpropionate
- α-Bromoisobutyric acid ethyl ester
- Ethyl 2-bromo-2-methylpropanoate
- Ethyl α-bromo-α-methylpropionate
- 2-Bromo-2-methylpropionic acid ethyl ester
- 2-Bromo-2-methylpropanoic acid ethyl ester
- NSC 402034
- NSC 9465
- 2-Bromoisobutyric acid ethyl ester
- 2-Bromoisobutanoic acid ethyl ester
- Ethyl 2-bromoisobutanoate
- Ethyl 2-bromisobutyrate
- Ebib
- Ethyl 2-methyl-2-bromopropionate
Work with Ethyl 2-bromoisobutyrate
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,3-Diethyl 2-bromo-2-methylpropanedioate29263-94-364 % similar
1,3-Diethyl 2,2-dibromopropanedioate631-22-163 % similar
Ethyl pivalate3938-95-259 % similar
Ethyl 2,2-dibromo-2-fluoroacetate565-53-757 % similar
Ethyl bromodifluoroacetate667-27-657 % similar
Ethyl 1-methylcyclopropanecarboxylate71441-76-455 % similar
Ethyl 1-bromocyclobutanecarboxylate35120-18-455 % similar
Diethyl cyclopropane-1,1-dicarboxylate1559-02-054 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.