(4-Bromobutoxy)benzene

C₁₀H₁₃BrOCAS 1200-03-9229.12 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₀H₁₃BrO
Molar mass: 229.12 g/mol
Exact mass: 228.0150 Da
Melting point: 41 °C
Boiling point: 156 °C (at 18 Torr)
logP: 3.24Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1200-03-9

SMILES

BrCCCCOc1ccccc1

InChIKey

QBLISOIWPZSVIK-UHFFFAOYSA-N

InChI

InChI=1S/C10H13BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

Weigh it out

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

Names and synonyms

9 names

Benzene, (4-bromobutoxy)-
Ether, 4-bromobutyl phenyl
1-Bromo-4-phenoxybutane
4-Bromobutyl phenyl ether
4-Phenoxybutyl bromide
1-Phenoxy-4-bromobutane
4-Phenoxy-1-bromobutane
4-Bromo-1-phenoxybutane
NSC 17155

Work with (4-Bromobutoxy)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

(3-Bromopropoxy)benzene588-63-688 % similar (2-Bromoethoxy)benzene589-10-672 % similar 1,2-Diphenoxyethane104-66-558 % similar Butyl phenyl ether1126-79-055 % similar 3-Phenoxy 1-propanol6180-61-655 % similar Benzyl 4-bromobutyl ether60789-54-055 % similar 1-Bromo-4-phenylbutane13633-25-552 % similar 1-Bromo-5-phenylpentane14469-83-150 % similar

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

Same formula

4-Bromo-2-tert-butylphenol10323-39-4 2-Bromo-4-tert-butylphenol2198-66-5 4-Butoxybromobenzene39969-57-8 Benzyl 3-bromopropyl ether54314-84-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook