3839-48-3

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3839-48-3 Structure

Identification	Back Directory
[Name] 2-CHLORO-2,4,6-CYCLOHEPTATRIEN-1-ONE
[CAS] 3839-48-3
[Synonyms] SKL286 2-Chlorotropone > 2-Chlorocycloheptatrienone 2-Chlorocyclohepta-2,4,6-trienone 2-CHLORO-2,4,6-CYCLOHEPTATRIEN-1-ONE 2,4,6-Cycloheptatrien-1-one, 2-chloro- 2-Chlorocycloheptatrienone, 2-Chlorotropone 2-Chloro-2,4,6-cycloheptatrien-1-one >=98.0% (GC)
[Molecular Formula] C7H5ClO
[MDL Number] MFCD00182497
[MOL File] 3839-48-3.mol
[Molecular Weight] 140.57

Chemical Properties	Back Directory
[Melting point ] 64-67 °C
[Boiling point ] 97°C/0.05mmHg(lit.)
[density ] 1.23±0.1 g/cm3(Predicted)
[storage temp. ] Store at room temperature
[solubility ] soluble in Methanol
[form ] powder to crystal
[color ] White to Amber
[InChI] 1S/C7H5ClO/c8-6-4-2-1-3-5-7(6)9/h1-5H
[InChIKey] MTHNMAUDCHXFMM-UHFFFAOYSA-N
[SMILES] ClC1=CC=CC=CC1=O

Safety Data	Back Directory
[Hazard Codes ] C
[Risk Statements ] 22-34-42/43
[Safety Statements ] 23-26-36/37/39-45
[RIDADR ] UN3261 8/PG 3
[WGK Germany ] 3
[RTECS ] GU4025000
[HS Code ] 2914.79.4000
[Storage Class] 8A - Combustible corrosive hazardous materials
[Hazard Classifications] Acute Tox. 4 Oral Resp. Sens. 1 Skin Corr. 1B Skin Sens. 1

Spectrum Detail	Back Directory
[Spectrum Detail] 2-CHLORO-2,4,6-CYCLOHEPTATRIEN-1-ONE(3839-48-3)¹HNMR 2-CHLORO-2,4,6-CYCLOHEPTATRIEN-1-ONE(3839-48-3)IR1 2-CHLORO-2,4,6-CYCLOHEPTATRIEN-1-ONE(3839-48-3)IR2

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