1-Chloro-3-phenylpropane
Properties
- Molecular formula
- C9H11Cl
- Molar mass
- 154.64 g/mol
- Exact mass
- 154.0549 Da
- Boiling point
- 219.5 °C
- logP
- 2.86Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation92.5% of notifiers
- H319 Causes serious eye irritation13.2% of notifiers
- H335 May cause respiratory irritation11.3% of notifiers
Aggregated from 53 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
104-52-9SMILES
ClCCCc1ccccc1InChIKey
XZBXAYCCBFTQHH-UHFFFAOYSA-NInChI
InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzene, (3-chloropropyl)-
- (3-Chloropropyl)benzene
- 3-Phenylpropyl chloride
- γ-Phenylpropyl chloride
- 3-Chloro-1-phenylpropane
- γ-Chloropropylbenzene
- 3-Phenyl-1-chloropropane
- NSC 16939
Work with 1-Chloro-3-phenylpropane
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-Chloro-4-phenylbutane4830-93-784 % similar
1-Chloro-8-phenyloctane61440-32-280 % similar
Phenylethyl chloride622-24-274 % similar
1,3-Diphenylpropane1081-75-061 % similar
Bibenzyl103-29-756 % similar
Benzyl chloride100-44-752 % similar
Benzyl 2-chloroethyl ether17229-17-350 % similar
3-Phenylpropyltrichlorosilane13617-40-848 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds