| Identification | More | [Name]
2-Chloro-4-fluorobenzonitrile | [CAS]
60702-69-4 | [Synonyms]
2-CHLORO-4-FLUOROBENZONITRILE
Benzonitrile, 2-chloro-4-fluoro-
2-Chloro-4-fluorobenzonitrile 99%
2-Chloro-4-fluorobenzonitrile99%
4-Fluoro-2-Chloro benzonitrile | [EINECS(EC#)]
262-384-8 | [Molecular Formula]
C7H3ClFN | [MDL Number]
MFCD00042523 | [Molecular Weight]
155.56 | [MOL File]
60702-69-4.mol |
| Chemical Properties | Back Directory | [Appearance]
semi-transparent crystalline chunks | [Melting point ]
64-66 °C(lit.)
| [Boiling point ]
233.4±20.0 °C(Predicted) | [density ]
1.3760 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [color ]
White to Almost white | [BRN ]
6323034 | [InChI]
InChI=1S/C7H3ClFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H | [InChIKey]
PGKPNNMOFHNZJX-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=C(F)C=C1Cl | [CAS DataBase Reference]
60702-69-4(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Chloro-4-fluorobenzonitrile(60702-69-4) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
3439 | [WGK Germany ]
3
| [Hazard Note ]
Harmful/Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Description]
2-Chloro-4-fluorobenzonitrile is an organohalogen compound that can be used for aryl dechlorination and defluorination reactions using organic super photoreductants. The use of a light emitting diode to directly excite the super electron donor tetrakis(dimethylamino)ethylene (TDAE) at 440 or 390 nm provides a quantitative reductant capable of reducing aryl chlorides and fluorides. The photoactive excited state lifetime of TDAE in cyclohexane is 17.3 ns at room temperature, with an oxidation potential of about -3.4 V for SCE. | [Chemical Properties]
semi-transparent crystalline chunks | [Uses]
4-Fluoro-2-chlorobenzonitrile is used in the synthesis of androgen receptor antagonists in the treatment of prostate cancer. Also used in the synthesis of pyrazole derivatives as novel androgen receptor antagonists. |
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