| Identification | Back Directory | [Name]
4,4'-(4H-1,2,4-TRIAZOL-4-YLMETHYLENE)BIS BENZONITRILE | [CAS]
112809-52-6 | [Synonyms]
Iso Letrozole
dibenzonitrile
AMiodarone IMpurity-A
AMiodarone IMpurity-B
Letrozole EP Impurity A
Letrozole USP Impurity A
Letrozole USP iMpurities
Letrozole Related CoMpound A
4,4'-((4H-1,2,4-Triazol-4-yl)
Letrozole specified impurity A
Letrozole USP Related Compound A
4,4'-(4H-1,3,4-TRIAZOL-4-YLMETHYLENE)BIS
4,4'-(1H-1,3,4-triazol-1-ylMethylene)dibenzonitrile
4,4'-(4H-1,2,4-TRIAZOL-4-YLMETHYLENE)BIS BENZONITRILE
4,4'-((4H-1,2,4-Triazol-4-yl)methylene)dibenzonitrile
4,4'-(1H-1,3,4-triazol-1-ylMethylene)dibenzonitrile
Benzonitrile, 4,4'-(4H-1,2,4-triazol-4-ylmethylene)bis-
4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)methyl]benzonitrile
Letrozole EP Impurity A (Letrozole USP Related Compound A)
4-[α-(4-cyano-phenyl)-1-(1,3,4-triazol-1-yl)-methyl]-benzonitrile
Letrozole EP Impurity A/ Letrozole Related Compound A (Iso Letrozole) | [Molecular Formula]
C17H11N5 | [MDL Number]
MFCD07368028 | [MOL File]
112809-52-6.mol | [Molecular Weight]
285.3 |
| Chemical Properties | Back Directory | [Melting point ]
239-243 °C | [Boiling point ]
563.5±60.0 °C(Predicted) | [density ]
1.21±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
Chloroform (Slightly, Heated), Methanol (Slightly) | [form ]
Solid | [pka]
2.48±0.10(Predicted) | [color ]
Off-White to Pale Yellow | [Major Application]
pharmaceutical (small molecule) | [InChI]
1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-11-20-21-12-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H | [InChIKey]
BCTXUGAAOFIJGX-UHFFFAOYSA-N | [SMILES]
[n]3(cnnc3)C(c2ccc(cc2)C#N)c1ccc(cc1)C#N |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [HS Code ]
2933998350 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Repr. 2
STOT RE 2 |
| Hazard Information | Back Directory | [Uses]
Isoletrozole (Letrozole EP Impurity A) is an impurity of Letrozole (L330100). Letrozole impurity A as per USP. | [Uses]
Isoletrozole is an impurity of Letrozole (L330100). Letrozole impurity A as per USP. |
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