4-tert-Butylbenzyl bromide

C₁₁H₁₅BrCAS 18880-00-7227.14 g/mol

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Properties

Molecular formula: C₁₁H₁₅Br
Molar mass: 227.14 g/mol
Exact mass: 226.0357 Da
Density: 1.232 g/mL (at 20 °C)
Melting point: 15.2 °C
Boiling point: 133 °C (at 17 Torr)
logP: 3.88Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

18880-00-7

SMILES

CC(C)(C)c1ccc(CBr)cc1

InChIKey

QZNQSIHCDAGZIA-UHFFFAOYSA-N

InChI

InChI=1S/C11H15Br/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3

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

Names and synonyms

12 names

Benzene, 1-(bromomethyl)-4-(1,1-dimethylethyl)-
Toluene, α-bromo-p-tert-butyl-
1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene
p-tert-Butylbenzyl bromide
4-(1,1-Dimethylethyl)benzyl bromide
α-Bromo-p-tert-butyltoluene
4-tert-Butylphenylmethyl bromide
1-Bromomethyl-4-tert-butylbenzene
Bromo(4-tert-butylphenyl)methane
NSC 186287
1-tert-Butyl-4-(bromomethyl)benzene
4-tert-Butyl-1-bromomethylbenzene

Work with 4-tert-Butylbenzyl bromide

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

1,4-Di-tert-butylbenzene1012-72-257 % similar 1,4-Bis(bromomethyl)benzene623-24-557 % similar 4-tert-Butylbenzyl chloride19692-45-656 % similar 4-(1,1-Dimethylethyl)benzenemethanamine39895-55-156 % similar 4-(Trifluoromethyl)benzyl bromide402-49-356 % similar 4-tert-Butylbenzyl alcohol877-65-656 % similar 4-(1,1-Dimethylethyl)benzeneethanol5406-86-054 % similar 4-Methylbenzyl bromide104-81-450 % similar

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

Same formula

1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-2 1-Bromo-4-pentylbenzene51554-95-1

Elsewhere

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