5-Chloro-2-methylbenzoxazole

C₈H₆ClNOCAS 19219-99-9167.59 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₆ClNO
Molar mass: 167.59 g/mol
Exact mass: 167.0138 Da
Melting point: 63 °C
logP: 2.79Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed95.1% of notifiers
H312 Harmful in contact with skin92.7% of notifiers
H314 Causes severe skin burns and eye damage92.7% of notifiers
H332 Harmful if inhaled92.7% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

19219-99-9

SMILES

Cc1nc2cc(Cl)ccc2o1

InChIKey

HJCIGAUHTJBHBQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names

Benzoxazole, 5-chloro-2-methyl-
2-Methyl-5-chlorobenzoxazole
NSC 26192

Work with 5-Chloro-2-methylbenzoxazole

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

2,5-Dichlorobenzooxazole3621-81-663 % similar 2,5-Dimethylbenzoxazole5676-58-463 % similar 5-Chloro-2-mercaptobenzoxazole22876-19-359 % similar Chlorzoxazone95-25-059 % similar 2-Methyl-5-phenylbenzoxazole61931-68-856 % similar 2-Methylbenzoxazole95-21-653 % similar 2,5,6-Trimethylbenzoxazole19219-98-852 % similar 2-Methylnaphth[2,3-d]oxazole20686-66-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chloro-4-methoxybenzonitrile102151-33-7 5-Chlorooxindole17630-75-0 4-Chloro-1,3-dihydro-2H-indol-2-one20870-77-3 3-Chloro-4-methylphenyl isocyanate28479-22-3 2-(4-Chlorophenoxy)acetonitrile3598-13-8 3-Chloro-2-methylphenyl isocyanate40397-90-8 2-Chloro-6-methylphenyl isocyanate40398-01-4 5-Chloro-2-methylphenyl isocyanate40411-27-6

Elsewhere

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