2-Chloromethyloxazole

C₄H₄ClNOCAS 185246-17-7117.53 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₄H₄ClNO
Molar mass: 117.53 g/mol
Exact mass: 116.9981 Da
logP: 1.41Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

185246-17-7

SMILES

C1=COC(=N1)CCl

InChIKey

NAOPGVBLRHCPHI-UHFFFAOYSA-N

InChI

InChI=1S/C4H4ClNO/c5-3-4-6-1-2-7-4/h1-2H,3H2

Weigh it out

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

Names and synonyms

1 names

2-(Chloromethyl)-1,3-oxazole

Work with 2-Chloromethyloxazole

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-Oxazolemethanamine885331-17-954 % similar 5-tert-Butyl-2-(chloromethyl)oxazole224441-73-035 % similar 2-Chloromethylpyridine4377-33-733 % similar 3-(Chloromethyl)-1,2,4-oxadiazole51791-12-933 % similar 2-(Chloromethyl)pyrimidine hydrochloride936643-80-033 % similar 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole3914-42-932 % similar 2-(Tri-N-butylstannyl)oxazole145214-05-731 % similar 2-Chloro-4-(chloromethyl)pyridine101990-73-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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