3-Bromo-1,2,4,5-tetramethylbenzene

C10H13BrCAS 1646-53-3213.12 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C10H13Br
Molar mass
213.12 g/mol
Exact mass
212.0201 Da
Melting point
60–61 °C
Boiling point
111–113 °C (at 6 Torr)
logP
3.68Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1646-53-3
SMILES
Cc1cc(C)c(C)c(Br)c1C
InChIKey
WJKBPTLQJXKEHC-UHFFFAOYSA-N
InChI
InChI=1S/C10H13Br/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3

Weigh it out

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Names and synonyms

8 names
  • Benzene, 3-bromo-1,2,4,5-tetramethyl-
  • Durene, bromo-
  • Bromodurene
  • 3-Bromodurene
  • 1-Bromo-2,3,5,6-tetramethylbenzene
  • 2,3,5,6-Tetramethylbromobenzene
  • Duryl bromide
  • NSC 87881

Work with 3-Bromo-1,2,4,5-tetramethylbenzene

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

2,4-Dibromo-1,3,5-trimethylbenzene6942-99-070 % similar Pentamethylbenzene700-12-958 % similar 1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-456 % similar 1,3,5-Tribromo-2,4,6-trimethylbenzene608-72-056 % similar 3-Bromo-2,4,6-trimethylaniline82842-52-254 % similar 1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-253 % similar 3-Iodo-1,2,4,5-tetramethylbenzene2100-25-650 % similar 1,5-Dibromo-2,4-bis-bromomethyl-benzene35510-03-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-phenylbutane13633-25-5 1-Bromo-4-(2-methylpropyl)benzene2051-99-2 1-Bromo-3-tert-butylbenzene3972-64-3 1-Bromo-4-tert-butylbenzene3972-65-4 1-Bromo-4-butylbenzene41492-05-1

Elsewhere

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