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112809-25-3

112809-25-3 Structure

112809-25-3 Structure
IdentificationMore
[Name]

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
[CAS]

112809-25-3
[Synonyms]

4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZONITRILE
4-(1H-1,2,4-TRIAZOLYLMETHYL)BENZONITRILE
4-[1-(1,2,4-triazolyl)-methyl-benzonitrile
4-1-(1,2,4-Triazolyl)-methyl-benzonitril
4-((1H-1,2,4-triazol-1-yl)methyl)benzonitrile (intermediate of letrozole)
4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile 97%
4-[1-(4-CYANOPHENYL)-HYDROXYMETHYL]-BENZONITRILE
INTERMEDIATE OF LETROZOLE
4-[1-(1,2,4-triazolyl)-methyl]-benzonitrile ( For Letrozole )
Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-
[Molecular Formula]

C10H8N4
[MDL Number]

MFCD07368016
[Molecular Weight]

184.2
[MOL File]

112809-25-3.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

69 °C
[Boiling point ]

412.1±55.0 °C(Predicted)
[density ]

1.19±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

2.52±0.10(Predicted)
[color ]

White
[InChI]

InChI=1S/C10H8N4/c11-5-9-1-3-10(4-2-9)6-14-8-12-7-13-14/h1-4,7-8H,6H2
[InChIKey]

HQLYWHSJALKYOV-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=C(CN2C=NC=N2)C=C1
[CAS DataBase Reference]

112809-25-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HS Code ]

2933998090
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile is an intermediate in the synthesis of Letrozole (L330100), an antineoplastic.
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile(112809-25-3)
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