2,2-Dichlorocyclopropylbenzene

C9H8Cl2CAS 2415-80-7187.06 g/mol

Open in Covalent MOL file
ClCl
Alkyl halide

Properties

Molecular formula
C9H8Cl2
Molar mass
187.06 g/mol
Exact mass
186.0003 Da
Density
1.2263 g/mL (at 20 °C)
Boiling point
114 °C (at 13 Torr)
logP
3.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
2415-80-7
SMILES
ClC1(Cl)CC1c1ccccc1
InChIKey
WLWFQGXZIDYWQF-UHFFFAOYSA-N
InChI
InChI=1S/C9H8Cl2/c10-9(11)6-8(9)7-4-2-1-3-5-7/h1-5,8H,6H2

Weigh it out

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

Names and synonyms

7 names
  • 1,1-Dichloro-2-phenylcyclopropane
  • 2-Phenyl-1,1-dichlorocyclopropane
  • Benzene, (2,2-dichlorocyclopropyl)-
  • (2,2-Dichlorocyclopropyl)benzene
  • 2,2-Dichloro-1-phenylcyclopropane
  • (±)-(2,2-Dichlorocyclopropyl)benzene
  • NSC 3003

Work with 2,2-Dichlorocyclopropylbenzene

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

2,2-Dichlorocyclopropyl phenyl sulfide63289-85-045 % similar Ciprofibrate52214-84-344 % similar 2,2,2-Trichloro-1-phenylethanol2000-43-340 % similar Benzal chloride29797-40-838 % similar Phenylcyclopropane873-49-438 % similar Chlorodiphenylmethane90-99-338 % similar Benzal chloride98-87-338 % similar Triphenylmethane519-73-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook