Bromoethane

C2H5BrCAS 74-96-4108.97 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C2H5Br
Molar mass
108.97 g/mol
Exact mass
107.9575 Da
Density
1.4612 g/mL (at 20 °C)
Melting point
−119 °C
Boiling point
38.2 °C
Flash point
-20 °C (closed cup)
Water solubility
9 g/L (25 °C)
logP
1.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 602-055-00-1), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P318, P330, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
74-96-4
SMILES
CCBr
InChIKey
RDHPKYGYEGBMSE-UHFFFAOYSA-N
InChI
InChI=1S/C2H5Br/c1-2-3/h2H2,1H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.40 (q, J = 7.0 Hz, 2H), 1.67 (t, J = 7.0 Hz, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 25.7, 17.8.
[M + H]+
[M + H]+ Calcd for C2H6Br 108.9647
[M + Na]+
[M + Na]+ Calcd for C2H5BrNa 130.9467
[M − H]−
[M − H]− Calcd for C2H4Br 106.9502
Elemental analysis
Anal. Calcd for C2H5Br: C, 22.05; H, 4.63.

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Names and synonyms

8 names
  • Ethane, bromo-
  • Bromic ether
  • Hydrobromic ether
  • Monobromoethane
  • Ethyl bromide
  • F 160B1
  • NSC 8824
  • 2-Bromoethane

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 74-96-4. Each row opens the sheet with its composition and PDF.

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Work with Bromoethane

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-Bromopropane106-94-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia