111628-39-8

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111628-39-8 Structure

Identification	Back Directory
[Name] 2-PIPERAZIN-1-YL-BENZOOXAZOLE
[CAS] 111628-39-8
[Synonyms] BUTTPARK 120\07-01 CHEMBRDG-BB 4102378 2-PIPERAZINO-1,3-BENZOXAZOLE 2-PIPERAZIN-1-YL-BENZOOXAZOLE Benzoxazole, 2-(1-piperazinyl)- 2-piperazin-1-yl-1,3-benzoxazole 2-(piperazin-1-yl)benzo[d]oxazole 2-piperazin-1-yl-1,3-benzoxazole(SALTDATA: FREE)
[Molecular Formula] C11H13N3O
[MDL Number] MFCD04035522
[MOL File] 111628-39-8.mol
[Molecular Weight] 203.24

Chemical Properties	Back Directory
[Melting point ] 68-70 °C
[Boiling point ] 345.1±52.0 °C(Predicted)
[density ] 1.210±0.06 g/cm3(Predicted)
[storage temp. ] 2-8°C(protect from light)
[form ] solid
[pka] 8.55±0.10(Predicted)
[Appearance] White to off-white Solid
[InChI] 1S/C11H13N3O/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
[InChIKey] HLKHIJZYKGDCJM-UHFFFAOYSA-N
[SMILES] C12=C(N=C(N3CCNCC3)O2)C=CC=C1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302
[Precautionary statements ] P280-P305+P351+P338
[Hazard Codes ] Xi,Xn
[Risk Statements ] 22
[WGK Germany ] WGK 3
[HazardClass ] IRRITANT
[HS Code ] 2934999090
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

Hazard Information	Back Directory
[Synthesis Reference(s)] Journal of Medicinal Chemistry, 41, p. 3015, 1998 DOI: 10.1021/jm9801004

Spectrum Detail	Back Directory
[Spectrum Detail] 2-PIPERAZIN-1-YL-BENZOOXAZOLE(111628-39-8)¹HNMR

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