1,3,5,7-Tetrabromoadamantane

C₁₀H₁₂Br₄CAS 7314-86-5451.82 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₀H₁₂Br₄
Molar mass: 451.82 g/mol
Exact mass: 447.7673 Da
logP: 4.90Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7314-86-5

SMILES

C1C2(CC3(CC1(CC(C2)(C3)Br)Br)Br)Br

InChIKey

SWVWJFWKWBFPID-UHFFFAOYSA-N

InChI

InChI=1S/C10H12Br4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h1-6H2

Weigh it out

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

Names and synonyms

1 names

Tricyclo[3.3.1.13,7]decane, 1,3,5,7-tetrabromo-

Work with 1,3,5,7-Tetrabromoadamantane

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

1,3,5-Tribromoadamantane707-34-653 % similar 1-Bromo-3,5,7-trimethyladamantane53398-55-350 % similar 1,3-Dibromoadamantane876-53-950 % similar 1-Bromoadamantane768-90-135 % similar 1-Bromo-3-methyladamantane702-77-235 % similar 1-Bromo-3,5-dimethyladamantane941-37-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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