(3-Bromopropoxy)benzene

C9H11BrOCAS 588-63-6215.09 g/mol

Open in Covalent MOL file
BrO
Alkyl halideEther

Properties

Molecular formula
C9H11BrO
Molar mass
215.09 g/mol
Exact mass
213.9993 Da
Melting point
10.7 °C
Boiling point
136–142 °C (at 20 Torr)
logP
2.85Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 20 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
588-63-6
SMILES
BrCCCOc1ccccc1
InChIKey
NIDWUZTTXGJFNN-UHFFFAOYSA-N
InChI
InChI=1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

Weigh it out

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

Names and synonyms

9 names
  • Benzene, (3-bromopropoxy)-
  • Ether, 3-bromopropyl phenyl
  • γ-Phenoxypropyl bromide
  • 3-Phenoxypropyl bromide
  • 3-Bromopropyl phenyl ether
  • 1-Bromo-3-phenoxypropane
  • 3-Bromo-1-phenoxypropane
  • 3-Phenoxy-1-bromopropane
  • NSC 2641

Reactions

Work with (3-Bromopropoxy)benzene

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

(4-Bromobutoxy)benzene1200-03-988 % similar (2-Bromoethoxy)benzene589-10-675 % similar 1,2-Diphenoxyethane104-66-561 % similar Butyl phenyl ether1126-79-057 % similar 3-Phenoxy 1-propanol6180-61-657 % similar Benzyl 3-bromopropyl ether54314-84-053 % similar Phenoxyethanol122-99-650 % similar Phenoxyethylamine1758-46-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3-isopropoxybenzene131738-73-3 Benzyl 2-bromoethyl ether1462-37-9 4-Bromo-2,6-dimethylanisole14804-38-7 2-(4-Bromophenyl)propan-2-ol2077-19-2 3-(4-Bromophenyl)propan-1-ol25574-11-2 1-Bromo-4-propoxybenzene39969-56-7 3-(2-Bromo-phenyl)-propan-1-ol52221-92-8 1-Bromo-2-(1-methylethoxy)benzene701-07-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook