| Identification | More | [Name]
4-Fluorobenzonitrile | [CAS]
1194-02-1 | [Synonyms]
4-CYANOFLUOROBENZENE
4-FLUOROBENZONITRILE
PFBN
P-FLUOROBENZONITRILE
4-fluoro-benzonitril
Benzonitrile, p-fluoro-
p-Cyanofluorobenzene
p-fluoro-benzonitril
p-Fluorobenzonitrile 4-Fluorobenzonitrile
4-florobenzonitrile
3-chloro-4-fluorobenzontrile
4-Fluorobenzonitrile98%
1-Cyano-4-fluorobenzene
1-Fluoro-4-cyanobenzene | [EINECS(EC#)]
214-784-9 | [Molecular Formula]
C7H4FN | [MDL Number]
MFCD00001812 | [Molecular Weight]
121.11 | [MOL File]
1194-02-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystalline low melting solid | [Melting point ]
32-34 °C (lit.) | [Boiling point ]
188 °C/750 mmHg (lit.) | [density ]
1.1070 | [refractive index ]
1.4925 | [Fp ]
150 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Chloroform, Ethyl Acetate | [form ]
Crystalline Low Melting Solid | [color ]
White | [Water Solubility ]
Insoluble in water. | [BRN ]
2041517 | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [InChIKey]
AEKVBBNGWBBYLL-UHFFFAOYSA-N | [CAS DataBase Reference]
1194-02-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzonitrile, 4-fluoro-(1194-02-1) | [EPA Substance Registry System]
1194-02-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T,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 ]
S36/37:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 1325 | [WGK Germany ]
3 | [RTECS ]
DI4368500 | [Hazard Note ]
Toxic | [TSCA ]
T | [HazardClass ]
4.1 | [PackingGroup ]
Ⅱ | [HS Code ]
29269095 | [Toxicity]
mouse,LD50,intraperitoneal,1gm/kg (1000mg/kg),Farmaco, Edizione Scientifica. Vol. 41, Pg. 41, 1986. |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Benzonitrile, 4-(4,4-dimethyl-1-piperidinyl)--->4,4-dimethylpiperidinium chloride | [Preparation Products]
3-FLUORO-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZONITRILE-->4-Fluorobenzamidine hydrochloride-->4-FLUORO-BENZAMIDINE-->4-PIPERAZIN-1-YL-BENZOIC ACID-->4,4'-(piperazine-1,4-diyl)dibenzonitrile-->4-MORPHOLINOBENZYLAMINE-->2-Bromo-4-fluorobenzonitrile-->4-N-BUTOXYBENZONITRILE-->3,5-DiMethylMorpholine-->Methyl 4-Mercaptobenzoate-->4,4',4''-(benzene-1,3,5-triyltris(oxy))tribenzoic acid-->1-Fluoro-4-(1-methylethenyl)benzene-->4-CYANOTHIOPHENOL-->1,4-DIISOPROPENYLBENZENE-->4-CYANOPHENYLACETONITRILE 97-->4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE-->1-(2-CYANOPHENYL)PIPERAZINE |
| Hazard Information | Back Directory | [Chemical Properties]
white crystalline low melting solid | [Uses]
4-Fluorobenzonitrile is used in the synthesis of flurenones, pharmaceutical prerequisites, as well as opiod receptor antagonists. | [Definition]
ChEBI: 4-Fluorobenzonitrile is a member of benzenes and a nitrile. | [General Description]
4-Fluorobenzonitrile undergoes metal-mediated coupling to yield eight-membered thorium(IV) tetraazamacrocycle. It undergoes condensation with diphenylamine to yield monomer 4-cyanotriphenylamine. | [Synthesis]
4-Fluorobenzonitrile is synthesised using 4-Fluorobenzyl alcohol as raw material by chemical reaction. The specific synthesis steps are as follows:
With respect to 2 mmol of each alcohol represented by the general formula (1), 4 ml of CH2Cl2 as a solvent, 0.05 equivalent of TEMPO as an N-nitrosyl compound, (A) t-BuOCl, (B) I 2 or (C ) N, N'-diiodo-5,5-dimethylhydantoin (DIH) were mixed in a predetermined amount and stirred for a predetermined time at room temperature.Next, 1.5 equivalents of I 2 and 4 ml of aqueous ammonia were added, and the mixture was stirred at room temperature for 2 hours.
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