1-Bromo-8-chloronaphthalene

C₁₀H₆BrClCAS 20816-79-9241.51 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₀H₆BrCl
Molar mass: 241.51 g/mol
Exact mass: 239.9341 Da
Melting point: 87–88 °C
Boiling point: 150–160 °C (at NaN Torr)
logP: 4.26Crippen 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 skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

20816-79-9

SMILES

Clc1cccc2cccc(Br)c12

InChIKey

JHZQEADUKRNQBX-UHFFFAOYSA-N

InChI

InChI=1S/C10H6BrCl/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.

Names and synonyms

1 names

Naphthalene, 1-bromo-8-chloro-

Work with 1-Bromo-8-chloronaphthalene

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-Dibromonaphtalene17135-74-967 % similar 1-Bromo-2-chlorobenzene694-80-457 % similar 1-Bromo-2,3-dichlorobenzene56961-77-452 % similar 1-Bromo-8-iodonaphthalene4044-58-052 % similar 8-Bromo-1-naphthalenamine62456-34-252 % similar 1-Bromo-8-phenylnaphthalene1121545-24-148 % similar 4-Bromopyrene1732-26-948 % similar 1-Bromo-3-chloro-2-fluorobenzene144584-65-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-chloronaphthalene53220-82-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook