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ChemicalBook--->CAS DataBase List--->768-90-1

768-90-1

768-90-1 Structure

768-90-1 Structure
IdentificationMore
[Name]

1-Bromoadamantane
[CAS]

768-90-1
[Synonyms]

1-ADAMANTYL BROMIDE
1-BROMOADAMANTANE
1-Bromotricyclo[3.3.1.1(3,7)]decane
LABOTEST-BB LT00239617
RARECHEM AQ TC 1019
1-Bromotricycol[3.3.1.1.(1,7)decane
Adamantane, 1-bromo-
Adamantyl bromide
Tricyclo[3.3.1.1(3,7)-]decane, 1-bromo-
1-bromoadmantance
1-Bromoadamantane,99%
11-BROMOADAMANTANE
3-Bromoadamantane
[EINECS(EC#)]

212-200-7
[Molecular Formula]

C10H15Br
[MDL Number]

MFCD00074721
[Molecular Weight]

215.13
[MOL File]

768-90-1.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO ALMOST WHITE CRYSTALS OR CRYST. POWDER
[Melting point ]

116-118 °C (lit.)
[Boiling point ]

248.79°C (rough estimate)
[density ]

1.2686 (rough estimate)
[refractive index ]

1.6411 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Powder
[color ]

White to yellow
[Water Solubility ]

It is soluble in organic solvents and insoluble in water.
[Sensitive ]

Moisture Sensitive
[BRN ]

1098857
[InChI]

InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
[InChIKey]

VQHPRVYDKRESCL-UHFFFAOYSA-N
[SMILES]

C12(Br)CC3CC(CC(C3)C1)C2
[CAS DataBase Reference]

768-90-1(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Bromoadamantane(768-90-1)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[F ]

8-10-23
[HS Code ]

29035990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Government regulation-->Adamantane-->butyl 3-chlorobenzoate-->1,3-Dibromoadamantane-->2-Adamantanol-->Tetramethylammonium bromide-->1-ADAMANTANE CARBOXALDEHYDE
[Preparation Products]

Phenol, 2-tricyclo[3.3.1.13,7]dec-1-yl--->P-(1-ADAMANTYL)TOLUENE-->1,3-Dimethyladamantane-->1,3,5,7-ADAMANTANETETRACARBOXYLIC ACID
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Bromotricyclo[3.3.1.1(3,7)]decane(768-90-1).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO ALMOST WHITE CRYSTALS OR CRYST. POWDER
[Uses]

1-Bromoadamantane shows some anti-viral activity due to the adamantane structure. In addition it shows anti-microbial activity and cytotoxic application.
[Uses]

use: Amantadine, Rimantadine, Somantadine, Tromantadine
[Application]

1-Bromoadamantane was used in the synthesis of a new organic–organic nanoscale composite thin-film dielectric.
1-Bromoadamantane forms inclusion complexes with α-, β-, and γ-cyclodextrins. It causes the alkylation of Co(II) complexes of β-diketones.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 45, p. 5239, 1980 DOI: 10.1021/jo01314a003
[General Description]

1-Bromoadamantane forms inclusion complexes with α-, β-, and γ-cyclodextrins. It causes the alkylation of Co(II) complexes of β-diketones.
[Purification Methods]

If coloured, dissolve it in CCl4, wash with H2O, treat with charcoal, dry (CaCl2), filter and evaporate to dryness. Dissolve the residue in a small volume of MeOH and cool in a CO2/trichloroethylene bath and collect the crystals. Sublime it at 90-100o/water pump vacuum. [Stetter et al. Chem Ber 92 1629 1959, Schleyer & Nicholas J Am Chem Soc 83 2700 1961, Beilstein 5 III 469.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-Bromoadamantane(768-90-1)MS
1-Bromoadamantane(768-90-1)1HNMR
1-Bromoadamantane(768-90-1)13CNMR
1-Bromoadamantane(768-90-1)IR1
1-Bromoadamantane(768-90-1)IR2
1-Bromoadamantane(768-90-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Bromoadamantane, 99%(768-90-1)
[Alfa Aesar]

1-Bromoadamantane, 99%(768-90-1)
[Sigma Aldrich]

768-90-1(sigmaaldrich)
[TCI AMERICA]

1-Bromoadamantane,>97.0%(GC)(768-90-1)
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