1,3,5-Tribromoadamantane
Properties
- Molecular formula
- C10H13Br3
- Molar mass
- 372.93 g/mol
- Exact mass
- 369.8567 Da
- logP
- 4.39Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
707-34-6SMILES
C1C2CC3(CC1(CC(C2)(C3)Br)Br)BrInChIKey
WZCLLQRZXWUEOP-UHFFFAOYSA-NInChI
InChI=1S/C10H13Br3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7H,1-6H2Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.05 (s, 6H), 2.24 (d, J = 7.0 Hz, 6H), 1.43 (sept, J = 7.0 Hz, 1H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 61.5, 60.9, 50.9, 35.9.[M + H]+
[M + H]+ Calcd for C10H14Br3 370.8640[M + Na]+
[M + Na]+ Calcd for C10H13Br3Na 392.8460[M − H]−
[M − H]− Calcd for C10H12Br3 368.8495Elemental analysis
Anal. Calcd for C10H13Br3: C, 32.21; H, 3.51.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 1,3,5-Tribromoadamantane
Similar compounds
1,3-Dibromoadamantane876-53-971 % similar
1-Bromo-3,5-dimethyladamantane941-37-759 % similar
1-Bromoadamantane768-90-156 % similar
1,3,5,7-Tetrabromoadamantane7314-86-553 % similar
1-Bromo-3-methyladamantane702-77-250 % similar
3-Bromoadamantane-1-carboxylic acid21816-08-040 % similar
Bicyclo(1.1.1)pentan-1-amine177287-49-937 % similar
1,3,5-Trimethyladamantane707-35-733 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.