6-Bromo-4-methylquinoline

C₁₀H₈BrNCAS 41037-28-9222.08 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₀H₈BrN
Molar mass: 222.08 g/mol
Exact mass: 220.9840 Da
Melting point: 98 °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 swallowed88.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage90.9% of notifiers
H319 Causes serious eye irritation11.4% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

41037-28-9

SMILES

Cc1ccnc2ccc(Br)cc12

InChIKey

XBZQSJLYRMZRSZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Quinoline, 6-bromo-4-methyl-

Work with 6-Bromo-4-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

6-Bromo-4-chloroquinoline65340-70-759 % similar 6-Methoxy-4-methylquinoline41037-26-756 % similar Lepidine491-35-053 % similar 6-Bromoquinoxaline50998-17-952 % similar 2,5-Dibromotoluene615-59-847 % similar 6-Bromo-4-chloro-quinazoline38267-96-846 % similar 5-Bromo-3-methyl-1H-indazole552331-16-546 % similar 7-Bromo-4-chloroquinoline75090-52-746 % 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 5-Bromonaphthalen-1-amine4766-33-0 2-(Bromomethyl)quinoline5632-15-5 8-Bromo-2-methyl-quinoline61047-43-6 8-Bromo-1-naphthalenamine62456-34-2

Elsewhere

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