4-(Chloromethyl)-3,5-dimethylisoxazole

C₆H₈ClNOCAS 19788-37-5145.59 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₆H₈ClNO
Molar mass: 145.59 g/mol
Exact mass: 145.0294 Da
Density: 1.173 g/mL (at 20 °C)
Boiling point: 87–88 °C (at 8 Torr)
logP: 2.03Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed87% of notifiers
H312 Harmful in contact with skin87% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled87% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 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

19788-37-5

SMILES

Cc1noc(C)c1CCl

InChIKey

NIFAUKBQIAURIM-UHFFFAOYSA-N

InChI

InChI=1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
3,5-Dimethyl-4-chloromethylisoxazole
(3,5-Dimethylisoxazol-4-yl)methyl chloride

Work with 4-(Chloromethyl)-3,5-dimethylisoxazole

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

3,5-Dimethyl-4-isoxazolemethanol19788-36-459 % similar 4-Iodo-3,5-dimethylisoxazole10557-85-443 % similar 4-Bromo-3,5-dimethylisoxazole10558-25-543 % similar 4-Amino-3,5-dimethylisoxazole31329-64-343 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-340 % similar 3,5-Dimethylisoxazole-4-carbonyl chloride31301-45-840 % similar 3,5-Dimethylisoxazole-4-sulfonyl chloride80466-79-140 % similar 3,5-Dimethylisoxazole-4-boronic acid16114-47-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

o-Aminophenol hydrochloride51-19-4 4-Aminophenol hydrochloride51-78-5 m-Aminophenol hydrochloride51-81-0

Elsewhere

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