3-Chloro-4-fluorobenzonitrile CAS 117482-84-5

Introduction：Basic information about 3-Chloro-4-fluorobenzonitrile CAS 117482-84-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

3-Chloro-4-fluorobenzonitrile Basic information

• Product Name: 3-Chloro-4-fluorobenzonitrile
• Synonyms: 3-CHLORO-4-FLUOROBENZONITRILE;3-Chloro-4-fluorobenzonitrile, 98+%;3-Chloro-4-fluorobenzonitrile 99%;3-Chloro-4-fluorobenzonitrile99%;3-chloro-4-fluorophenyl-carbonitrile;3-Chloro-4-fluorobenzonitrile >Benzonitrile, 3-chloro-4-fluoro-
• CAS: 117482-84-5
• MF: C7H3ClFN
• MW: 155.56
• EINECS: 628-619-7
• Product Categories: FINE Chemical & INTERMEDIATES;Fluorine series;Pyridines;Aromatic Nitriles;Fluorobenzene;Nitrile;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 117482-84-5.mol

3-Chloro-4-fluorobenzonitrile Chemical Properties

• Melting point: 69-71 °C(lit.)
• Boiling point: 135 °C / 65mmHg
• 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: 4740501
• InChI: InChI=1S/C7H3ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
• InChIKey: VAHXXQJJZKBZDX-UHFFFAOYSA-N
• SMILES: C(#N)C1=CC=C(F)C(Cl)=C1
• CAS DataBase Reference: 117482-84-5(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Chloro-4-fluorobenzonitrile(117482-84-5)

Safety Information

• Hazard Codes: Xn,T,Xi
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39-36/37/39
• RIDADR: 3439
• WGK Germany: 3
• Hazard Note: Toxic
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29269090
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

3-Chloro-4-fluorobenzonitrile Usage And Synthesis

Chemical Properties

Slightly yellow crystalline powder

Uses

3-Chloro-4-fluorobenzonitrile may be used in the preparation of ethyl 5-(2-chloro-4-cyanophenoxy)indoline-1-carboxylate and 3-chloro-4-(indolin-5-yloxy)benzonitrile.

General Description

The FTIR and Raman spectra of 3-chloro-4-fluorobenzonitrile by ab initio HF and density functional method has been reported. Reaction of 3-chloro-4-fluorobenzonitrile with potassium fluoride in 1,3-dimethylimidazolidine-2-one (DMI) has been reported.

Toxics Screening Level

The Initial threshold Screening Level (ITSL) is 2 μg/m3 annual average.

3-Chloro-4-fluorobenzonitrile Preparation Products And Raw materials

• Preparation Products: Benzamide, 3-chloro-4-[4-[[(2R)-2-(3-pyridinyl)-1-pyrrolidinyl]methyl]phenoxy]--->LY-2795050-->3-Chloro-4-(piperazin-1-yl)benzonitrile