6-Bromo-2-methylquinoline

C₁₀H₈BrNCAS 877-42-9222.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈BrN
Molar mass: 222.09 g/mol
Exact mass: 220.9840 Da
Melting point: 97 °C
logP: 3.31Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed87.2% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction87.2% of notifiers
H318 Causes serious eye damage87.2% of notifiers
H319 Causes serious eye irritation12.8% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled87.2% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

877-42-9

SMILES

Cc1ccc2cc(Br)ccc2n1

InChIKey

SQRYQSKJZVQJAY-UHFFFAOYSA-N

InChI

InChI=1S/C10H8BrN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

4 names

2-Methyl-6-bromoquinoline
Quinoline, 6-bromo-2-methyl-
Quinaldine, 6-bromo-
6-Bromoquinaldine

Work with 6-Bromo-2-methylquinoline

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

2,6-Dimethylquinoline877-43-063 % similar 6-Hydroxy-2-methylquinoline613-21-863 % similar 6-Fluoro-2-methylquinoline1128-61-658 % similar 6-Bromo-2-chloroquinoline1810-71-558 % similar 6-Amino-2-methylquinoline65079-19-858 % similar 6-Chloroquinaldine92-46-658 % similar 6-Methoxy-2-methylquinoline1078-28-054 % similar 2-Methylquinoline-6-carboxaldehyde108166-03-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3-Bromophenyl)-1H-pyrrole107302-22-7 1-(4-Bromophenyl)cyclopropanecarbonitrile124276-67-1 1-Bromonaphthalen-2-amine20191-75-7 1-Amino-4-bromonaphthalene2298-07-9 6-Bromo-4-methylquinoline41037-28-9 5-Bromonaphthalen-1-amine4766-33-0 2-(Bromomethyl)quinoline5632-15-5 8-Bromo-2-methyl-quinoline61047-43-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook