2-(Chloromethyl)-4-methylquinazoline

C₁₀H₉ClN₂CAS 109113-72-6192.65 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₀H₉ClN₂
Molar mass: 192.65 g/mol
Exact mass: 192.0454 Da
logP: 2.68Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage100% of notifiers
H341 Suspected of causing genetic defects100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

109113-72-6

SMILES

Cc1nc(CCl)nc2ccccc12

InChIKey

UHCUBOJGMLASBY-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClN2/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

2 names

Quinazoline, 2-(chloromethyl)-4-methyl-
NSC 48971

Work with 2-(Chloromethyl)-4-methylquinazoline

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

9-Methylacridine611-64-342 % similar 2,3-Dimethylquinoxaline2379-55-742 % similar 4-Chloro-2-methylquinazoline6484-24-841 % similar 4-Chloro-2-methylquinoline4295-06-138 % similar 2-Chloro-4-methylquinoline634-47-938 % similar 9-Chloroacridine1207-69-838 % similar 9,10-Bis(chloromethyl)anthracene10387-13-038 % similar 2,4-Dimethylquinoline1198-37-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook