8-Bromomethylquinoline

C₁₀H₈BrNCAS 7496-46-0222.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈BrN
Molar mass: 222.08 g/mol
Exact mass: 220.9840 Da
logP: 3.13Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H318 Causes serious eye damage95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

7496-46-0

SMILES

C1=CC2=C(C(=C1)CBr)N=CC=C2

InChIKey

IAAUGSYGHOFWEW-UHFFFAOYSA-N

InChI

InChI=1S/C10H8BrN/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H,7H2

Weigh it out

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

Names and synonyms

1 names

8-(Bromomethyl)quinoline

Work with 8-Bromomethylquinoline

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-Bromo-3-(bromomethyl)pyridine94446-97-655 % similar 8-Bromoquinoline16567-18-353 % similar 1,10-Phenanthroline66-71-752 % similar 1-(Bromomethyl)naphthalene3163-27-748 % similar 8-Chloroquinoline611-33-648 % similar Thiooxine hydrochloride34006-16-147 % similar 8-Iodo quinoline1006-47-947 % similar 8-Hydroxyquinoline148-24-347 % 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

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