1-Bromo-4-cyclopropylbenzene

C₉H₉BrCAS 1124-14-7197.07 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₉H₉Br
Molar mass: 197.07 g/mol
Exact mass: 195.9888 Da
Density: 1.3902 g/mL (at 20 °C)
Melting point: 15 °C
Boiling point: 101–102 °C (at 11 Torr)
logP: 3.33Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H336 May cause drowsiness or dizziness33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1124-14-7

SMILES

Brc1ccc(C2CC2)cc1

InChIKey

JRDNBWVMEFUNCQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9Br/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2

Weigh it out

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

Names and synonyms

6 names

Benzene, 1-bromo-4-cyclopropyl-
(p-Bromophenyl)cyclopropane
4-Cyclopropylbromobenzene
4-Cyclopropylphenyl bromide
(4-Bromophenyl)cyclopropane
4-Bromocyclopropylbenzene

Work with 1-Bromo-4-cyclopropylbenzene

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-Bromo-4-cyclohexylbenzene25109-28-877 % similar 4-(4-Bromophenyl)piperidine80980-89-871 % similar 1-Bromo-4-(trans-4-propylcyclohexyl)benzene86579-53-567 % similar 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene79832-89-660 % similar (S)-3-(4-Bromophenyl)piperidine1335523-82-455 % similar 1,4-Dibromobenzene106-37-650 % similar 2-(4-Bromophenyl)-1,3-dioxolane10602-01-450 % similar 1,4-Dicyclohexylbenzene1087-02-150 % similar

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

Same formula

(3-Bromo-1-propen-1-yl)benzene4392-24-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook