chempirical

Bromobenzene-D5

C6D5BrCAS 4165-57-5162.04 g/mol

Open in Covalent MOL file
DDDBrDD
Aryl halide

Properties

Molecular formula
C6D5Br
Molar mass
162.04 g/mol
Exact mass
160.9888 Da
Boiling point
88–89 °C (at 100 Torr)
logP
2.45Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P391, P403+P235, P501

Identifiers

CAS number
4165-57-5
SMILES
[2H]c1c([2H])c([2H])c(Br)c([2H])c1[2H]
InChIKey
QARVLSVVCXYDNA-RALIUCGRSA-N
InChI
InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D

Weigh it out

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

Names and synonyms

10 names
  • Benzene-1,2,3,4,5-d5, 6-bromo-
  • Bromopentadeuteriobenzene
  • Perdeuteriobromobenzene
  • Pentadeuterophenyl bromide
  • Bromopentadeuterobenzene
  • d5-Bromobenzene
  • 1-Bromobenzene-2,3,4,5,6-d5
  • Benzene-d5, bromo-
  • 6-Bromobenzene-1,2,3,4,5-d5
  • Bromo(2H5)benzene

Work with Bromobenzene-D5

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bromobenzene108-86-1Unlabelled

Similar compounds

1,4-Dibromobenzene-D44165-56-462 % similar 9-Bromoanthracene-D9183486-02-436 % similar (2H8)Naphthalene1146-65-233 % similar Phen-2,3,4,5,6-d5-ol-d13127-88-333 % similar Toluene-D82037-26-533 % similar Chloro(2H5)benzene3114-55-433 % similar Benzen-2,3,4,5,6-d5-amine4165-61-133 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook