1-Iodo-2-isopropylbenzene

C₉H₁₁ICAS 19099-54-8246.09 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₉H₁₁I
Molar mass: 246.09 g/mol
Exact mass: 245.9905 Da
Density: 1.5487 g/mL (at 20 °C)
Boiling point: 84–85 °C (at 2 Torr)
logP: 3.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 6 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19099-54-8

SMILES

CC(C)c1ccccc1I

InChIKey

SORQIYFSJAWBNQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H11I/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3

Weigh it out

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

Names and synonyms

10 names

Benzene, 1-iodo-2-(1-methylethyl)-
Cumene, o-iodo-
1-Iodo-2-(1-methylethyl)benzene
o-Iodocumene
2-Iodo-1-isopropylbenzene
2-Isopropyliodobenzene
2-Isopropylphenyl iodide
1-Iodo-2-propan-2-ylbenzene
1-Iodo-2-(propan-2-yl)benzene
2-Isopropyl-1-iodobenzene

Work with 1-Iodo-2-isopropylbenzene

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

Bis(1-methylethyl)benzene25321-09-962 % similar O-Cymene527-84-456 % similar 1-Bromo-2-(1-methylethyl)benzene7073-94-150 % similar 2-Isopropylaniline643-28-748 % similar 2-Isopropylphenol88-69-748 % similar 1,2-Diiodobenzene615-42-948 % similar Propofol2078-54-844 % similar Diisopropylaniline24544-04-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Iodo-4-isopropylbenzene17356-09-1 Iodomesitylene4028-63-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook