ChemicalBook--->CAS DataBase List--->7778-01-0

7778-01-0

7778-01-0 Structure

7778-01-0 Structure
IdentificationBack Directory
[Name]

3,5-Dichlorobenzyl bromide
[CAS]

7778-01-0
[Synonyms]

105218
-3,5-dichlorobenzene
3,5-Dichlorobenzyl bromide
5-(Bromomethyl)-1,3-dichlorobenzene
1-(bromomethyl)-3,5-dichlorobenzene
Benzene, 1-(bromomethyl)-3,5-dichloro-
[Molecular Formula]

C7H5BrCl2
[MDL Number]

MFCD10698783
[MOL File]

7778-01-0.mol
[Molecular Weight]

239.92
Chemical PropertiesBack Directory
[Boiling point ]

146-150 °C(Press: 18 Torr)
[density ]

1.679±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C7H5BrCl2/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
[InChIKey]

CTJIGYSODYOMGI-UHFFFAOYSA-N
[SMILES]

C1(CBr)=CC(Cl)=CC(Cl)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H311-H331-H314-H301
[Precautionary statements ]

P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dichlorobenzyl bromide(7778-01-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

3,5-Dichlorobenzyl alcohol

60211-57-6

3,5-Dichlorobenzyl bromide

7778-01-0

General procedure: A solution of carbon tetrachloride (50 mL) of bromine (3.17 mL, 61 mmol) was slowly added dropwise to a solution of carbon tetrachloride (250 mL) of triphenylphosphine (16.13 g, 61 mmol) and mixed well with stirring. Subsequently, a solution of carbon tetrachloride (50 mL) of 3,5-dichlorobenzyl alcohol (10.0 g, 56 mmol) was added and the reaction mixture was heated to reflux and maintained for 45 minutes. Upon completion of the reaction, hexane was added for dilution. The mixture was filtered through a silica gel column and washed well with hexane. The filtrate was collected and the solvent was removed by concentration under reduced pressure to afford 3,5-dichlorobenzyl bromide (12.79 g, 95% yield). The product was characterized by 1H-NMR (400 MHz, CDCl3): δ= 4.37 (s, 2H), 7.24-7.28 (m, 3H).

[References]

[1] Patent: WO2006/120544, 2006, A1. Location in patent: Page/Page column 50
[2] Patent: WO2006/107923, 2006, A1. Location in patent: Page/Page column 70-71
[3] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 8, p. 821 - 826
[4] Archiv der Pharmazie, 2005, vol. 338, # 7, p. 299 - 304
[5] Patent: WO2006/30984, 2006, A1. Location in patent: Page/Page column 63; 134
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