2-Bromoethanol

C₂H₅BrOCAS 540-51-2124.97 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₂H₅BrO
Molar mass: 124.97 g/mol
Exact mass: 123.9524 Da
Density: 1.7902 g/mL (at 40 °C)
Boiling point: 150 °C
Flash point: 40.6 °C
Water solubility: 10–50 g/L (18.9 °C)
logP: 0.37Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed95.5% of notifiers
H311 Toxic in contact with skin95.5% of notifiers
H314 Causes severe skin burns and eye damage97.3% of notifiers
H331 Toxic if inhaled91.9% of notifiers

Aggregated from 111 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

540-51-2

SMILES

OCCBr

InChIKey

LDLCZOVUSADOIV-UHFFFAOYSA-N

InChI

InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2

Weigh it out

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

Names and synonyms

9 names

Ethanol, 2-bromo-
Glycol bromohydrin
Ethylene bromohydrin
2-Hydroxyethyl bromide
1-Bromo-2-ethanol
β-Bromoethanol
1-Bromo-2-hydroxyethane
2-Bromoethyl alcohol
NSC 2869

Reactions

2-BROMOETHANOL (Ethanol, 2-bromo-)product

Work with 2-Bromoethanol

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

3-Bromo-1-propanol627-18-960 % similar 4-Bromo-1-butanol33036-62-356 % similar 7-Bromo-1-heptanol10160-24-453 % similar 13-Bromo-1-tridecanol116754-58-653 % similar 11-Bromo-1-undecanol1611-56-953 % similar 12-Bromo-1-dodecanol3344-77-253 % similar 5-Bromo-1-pentanol34626-51-253 % similar 6-Bromo-1-hexanol4286-55-953 % similar

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

Same formula

Bromomethyl methyl ether13057-17-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook