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1-(4-Bromophenyl)hexane

1-(4-Bromophenyl)hexane structure

CAS No:
23703-22-2
Formula:
C12H17Br
Chemical Name:
1-(4-Bromophenyl)hexane
Synonyms:
1-Bromo-4-n-hexylbenzene,97%;1-Bromo-4-(hex-1-yl)benzene 97%;-4-has1- broMobenzene;1-BROMO-4-HEXYLBENZENE;1-BROMO-4-N-HEXYLBENZENE;1-(4-BROMOPHENYL)HEXANE;4-BROMOHEXYLBENZENE;4-n-Hexylbromobenzene
Categories:
Organic Chemistry > Coordination Complexes

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Description

clear colorless to light yellow liquid

1-(4-Bromophenyl)hexane Basic Attributes

Molecular Weight：

241.17

Exact Mass：

240.051361

EC Number：

1592732-453-0

DSSTox ID：

DTXSID60344598

HScode：

2903999090

Characteristics

PSA：

XLogP3：

5.3

Appearance：

clear colorless to light yellow liquid

Density：

1.2±0.1 g/cm3

Boiling Point：

280°C

Flash Point：

280°C

Refractive Index：

1.519

Vapor Pressure：

0.00674mmHg at 25°C

Safety Information

safety instructions：

24/25

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1-(4-Bromophenyl)hexane Use and Manufacturing

General procedure: Coupling of Alkyl Halides with t-BuMgCl; Procedure 1 (P1)An alkyl halide (1.0 mmol), decane (63 mg as an internal standard)and LiI (5.3 mg, 0.04 mmol) were added to a dry, nitrogen-flushedtest tube equipped with a rubber septum and a magnetic stir bar.THF (0.8 mL) was added and the solution was cooled to –78 °C usinga dry ice/EtOH bath. t-BuMgCl (2a) (1.5 mL, 0.81 M in THF, 1.2 mmol) was added slowly followed by isoprene (136.2 mg, 2.0mmol). To this mixture was added CoCl2 [2.6 mg, 0.02 mmol, as apowder or as a THF solution (0.5 mL, 0.04 M)]. (Note 1: CoCl2should be added after isoprene, otherwise the catalytic performancedecreases significantly). The cold bath was removed and the mixturewas warmed to r.t. (ca. over 10 min), and then heated for 5 h bysuspending the reaction vessel in an oil bath kept at 50 °C. (Note 2:when the reaction mixture was heated at 30 °C during this stage, unidentifiedside reactions occurred resulting in low yields of couplingproducts). The resulting mixture was cooled to 0 °C in an ice bathand the reaction was quenched with aq HCl (5 mL, 1 M). The productwas extracted with Et2O (3 × 20 mL). The combined organiclayer dried over Na2SO4, concentrated and analyzed by gas chromatographyto determine the GC yield. The residue was purified by silicagel column chromatography or by GPC. 1.0 mmol) and n-BuMgCl (2j) (1.0 M in THF, 1.2 mmol) were reactedunder standard conditions.Yield: 94percent (determined by GC using decane as an internal standard).Compound (1) (159 g, 0.51 mol) , hydrazine hydrate (70 mL) and KOH (114.46 g, 2.04 mol) were dissolved in triethylene glycol (700 mL) , and the solution was heated under reflux for 2 hours . The reaction temperature was lowered to room temperature, and water and HCl were added to the reaction mixture. After extraction with CH

Computed Properties

Molecular Weight:241.17
XLogP3:5.3
Rotatable Bond Count:5
Exact Mass:240.05136
Monoisotopic Mass:240.05136
Heavy Atom Count:13
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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