2-fluoro-4-methoxybenzoyl chloride

• ChemBase ID: 18465
• Molecular Formular: C8H6ClFO2
• Molecular Mass: 188.5834432
• Monoisotopic Mass: 188.00403533
• SMILES: C(=O)(c1c(cc(cc1)OC)F)Cl
• Canonical SMILES: COc1ccc(c(c1)F)C(=O)Cl
• InChI: InChI=1S/C8H6ClFO2/c1-12-5-2-3-6(8(9)11)7(10)4-5/h2-4H,1H3
• InChIKey: UHLDNUXKNREILG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-methoxybenzoyl chloride
• IUPAC Traditional name: 2-fluoro-4-methoxybenzoyl chloride
• Synonyms: 2-Fluoro-4-methoxybenzoyl chloride; 2-Fluoro-4-methoxybenzoyl chloride, JRD; 2-Fluoro-4-methoxybenzoylchloride; 2-氟-4-甲氧基苯甲酰氯, JRD

Database IDs

• CAS Number: 394-42-3; 321-24-4
• MDL Number: MFCD08146649
• PubChem SID: 160981772
• PubChem CID: 14484714

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.149189
• LogD (pH = 7.4): 2.149189
• Log P: 2.149189
• Molar Refractivity: 43.8523 cm^3
• Polarizability: 16.398785 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40-42°C

Safety Information

• Storage Warning: IRRITANT, CORROSIVE; Irritant/Corrosive; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 95%; 95+%; 97%