145878-50-8

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145878-50-8 Structure

Identification	Back Directory
[Name] Carbamic acid, (3-cyanophenyl)-, 1,1-dimethylethyl ester (9CI)
[CAS] 145878-50-8
[Synonyms] N-Boc-3-aminobenzonitrile 3-(Boc-amino)benzonitrile tert-Butyl N-(3-cyanophenyl)carbamate Carbamic acid, N-(3-cyanophenyl)-, 1,1-dimethylethyl ester Carbamic acid, (3-cyanophenyl)-, 1,1-dimethylethyl ester (9CI)
[Molecular Formula] C12H14N2O2
[MDL Number] MFCD07787223
[MOL File] 145878-50-8.mol
[Molecular Weight] 218.252

Chemical Properties	Back Directory
[Melting point ] 125-130°C
[Boiling point ] 286.6±23.0 °C(Predicted)
[density ] 1.12±0.1 g/cm3(Predicted)
[storage temp. ] Store at room temperature
[form ] solid
[pka] 13.08±0.70(Predicted)
[Appearance] Off-white to light yellow Solid
[InChI] 1S/C12H14N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,1-3H3,(H,14,15)
[InChIKey] UEEFNFUJFIMRPZ-UHFFFAOYSA-N
[SMILES] CC(C)(C)OC(=O)Nc1cccc(c1)C#N

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H317
[Precautionary statements ] P280
[Hazard Codes ] Xn
[Risk Statements ] 22-43
[Safety Statements ] 36/37
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral Skin Sens. 1

Spectrum Detail	Back Directory
[Spectrum Detail] Carbamic acid, (3-cyanophenyl)-, 1,1-dimethylethyl ester (9CI)(145878-50-8)¹HNMR

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