1-Bromo-8-iodonaphthalene

C₁₀H₆BrICAS 4044-58-0332.97 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₆BrI
Molar mass: 332.97 g/mol
Exact mass: 331.8698 Da
logP: 4.21Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

4044-58-0

SMILES

C1=CC2=C(C(=C1)Br)C(=CC=C2)I

InChIKey

XNDLRPFISURYTA-UHFFFAOYSA-N

InChI

InChI=1S/C10H6BrI/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H

Weigh it out

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

Work with 1-Bromo-8-iodonaphthalene

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

1,8-Dibromonaphtalene17135-74-964 % similar 1-Bromo-2-iodobenzene583-55-154 % similar 1-Bromo-8-chloronaphthalene20816-79-952 % similar 8-Bromo-1-naphthalenamine62456-34-250 % similar 1-Bromo-8-phenylnaphthalene1121545-24-147 % similar 1-Bromopyrene1714-29-045 % similar 1-Iodonaphthalene90-14-244 % similar 1,3-Dibromo-2-iodobenzene19821-80-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-4-iodonaphthalene63279-58-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook