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53312-80-4

53312-80-4 Structure

53312-80-4 Structure
IdentificationBack Directory
[Name]

4-AMINO-2-FLUOROBENZONITRILE
[CAS]

53312-80-4
[Synonyms]

Fluoro-4-amino-benzonitrile
4-Amino-2-fluorobenzonitrile
Benzonitrile, 4-amino-2-fluoro-
[Molecular Formula]

C7H5FN2
[MDL Number]

MFCD07368709
[MOL File]

53312-80-4.mol
[Molecular Weight]

136.13
Chemical PropertiesBack Directory
[Melting point ]

103-105°
[Boiling point ]

288.2±25.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[form ]

crystalline solid
[pka]

0.71±0.10(Predicted)
[color ]

Light to dark brown
[InChI]

InChI=1S/C7H5FN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2
[InChIKey]

FDUGOYTWYJZNNP-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=C(N)C=C1F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P271
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
[HS Code ]

2926907090
Hazard InformationBack Directory
[Chemical Properties]

Off-white crystalline
[Synthesis]

4-Amino-2-fluorobenzonitrile is an organic intermediate that can be prepared by the reaction of 4-bromo-3-fluoroaniline with Zn(CN)2.
[References]

[1] Journal of Medicinal Chemistry, 2001, vol. 44, # 23, p. 3856 - 3871
[2] Patent: WO2010/9183, 2010, A1. Location in patent: Page/Page column 84
[3] Patent: WO2006/124118, 2006, A1. Location in patent: Page/Page column 75
[4] Patent: WO2008/157162, 2008, A1. Location in patent: Page/Page column 145
[5] Patent: WO2006/36024, 2006, A1. Location in patent: Page/Page column 153
Spectrum DetailBack Directory
[Spectrum Detail]

4-AMINO-2-FLUOROBENZONITRILE(53312-80-4)1HNMR
4-AMINO-2-FLUOROBENZONITRILE(53312-80-4)FT-IR
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