5428-02-4

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5428-02-4 Structure

Identification	Back Directory
[Name] 2-NITRO-2-PHENYLPROPANE-1,3-DIOL
[CAS] 5428-02-4
[Synonyms] Nitodiol AURORA KA-563 2-NITRO-2-PHENYL-1,3-PROPANEDIOL 2-NITRO-2-PHENYLPROPANE-1,3-DIOL 1,3-Propanediol, 2-nitro-2-phenyl-
[EINECS(EC#)] 410-360-4
[Molecular Formula] C9H11NO4
[MDL Number] MFCD00218497
[MOL File] 5428-02-4.mol
[Molecular Weight] 197.19

Chemical Properties	Back Directory
[Melting point ] 100-102°C
[Boiling point ] 396.0±42.0 °C(Predicted)
[density ] 1.337±0.06 g/cm3(Predicted)
[form ] liquid
[pka] 12.53±0.10(Predicted)
[InChI] 1S/C9H11NO4/c11-6-9(7-12,10(13)14)8-4-2-1-3-5-8/h1-5,11-12H,6-7H2
[InChIKey] AJRYCRIQZBMNEO-UHFFFAOYSA-N
[SMILES] [N+](=O)([O-])C(CO)(CO)c1ccccc1

Safety Data	Back Directory
[Hazard Codes ] T,N
[Risk Statements ] 21/22-39-41-43-51/53-48/25
[Safety Statements ] 45-53-61
[RIDADR ] 3077
[WGK Germany ] WGK 3
[HazardClass ] IRRITANT
[Storage Class] 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
[Hazard Classifications] Acute Tox. 3 Oral Acute Tox. 4 Dermal Aquatic Chronic 2

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