1,3-Dibromoadamantane

C₁₀H₁₄Br₂CAS 876-53-9294.03 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₀H₁₄Br₂
Molar mass: 294.03 g/mol
Exact mass: 291.9462 Da
logP: 3.87Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

876-53-9

SMILES

C1C2CC3(CC1CC(C2)(C3)Br)Br

InChIKey

HLWZKLMEOVIWRK-UHFFFAOYSA-N

InChI

InChI=1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2

Weigh it out

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

Work with 1,3-Dibromoadamantane

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-Tribromoadamantane707-34-671 % similar 1-Bromoadamantane768-90-171 % similar 1-Bromo-3-methyladamantane702-77-268 % similar 3-Bromoadamantane-1-carboxylic acid21816-08-054 % similar 1,3,5,7-Tetrabromoadamantane7314-86-550 % similar 1-Bromo-3,5-dimethyladamantane941-37-744 % similar Adamantane-1,3-diamine10303-95-443 % similar 1,3-Dihydroxyadamantane5001-18-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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