4-chloro-3-fluoropyridine hydrochloride

• ChemBase ID: 65048
• Molecular Formular: C5H4Cl2FN
• Molecular Mass: 167.9963632
• Monoisotopic Mass: 166.97048271
• SMILES: c1cncc(c1Cl)F.Cl
• Canonical SMILES: Fc1cnccc1Cl.Cl
• InChI: InChI=1S/C5H3ClFN.ClH/c6-4-1-2-8-3-5(4)7;/h1-3H;1H
• InChIKey: YWWXNVPPEXEZPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-fluoropyridine hydrochloride
• IUPAC Traditional name: 4-chloro-3-fluoropyridine hydrochloride
• Synonyms: 4-Chloro-3-fluoropyridine hydrochloride; 4-Chloro-3-fluoropyridine hydrochloride; 4-氯-3-氟吡啶盐酸盐

Database IDs

• CAS Number: 119229-74-2
• MDL Number: MFCD03092936; MFCD03453233
• PubChem SID: 162030787
• PubChem CID: 19360234

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5021971
• LogD (pH = 7.4): 1.5023185
• Log P: 1.50232
• Molar Refractivity: 28.9223 cm^3
• Polarizability: 11.101813 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 160°C subl.
• Flash Point: >110°C

Safety Information

• Storage Warning: IRRITANT; Toxic
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 97%