4-fluorophenyl chloroformate

• ChemBase ID: 97194
• Molecular Formular: C7H4ClFO2
• Molecular Mass: 174.5568632
• Monoisotopic Mass: 173.98838527
• SMILES: Fc1ccc(cc1)OC(=O)Cl
• Canonical SMILES: ClC(=O)Oc1ccc(cc1)F
• InChI: InChI=1S/C7H4ClFO2/c8-7(10)11-6-3-1-5(9)2-4-6/h1-4H
• InChIKey: MSBGPEACXKBQSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluorophenyl chloroformate
• IUPAC Traditional name: 4-fluorophenyl chloroformate
• Synonyms: 4-Fluorophenyl chloroformate; 4-Fluorophenyl chloroformate 97%; 氯甲酸-4-氟苯酯

Database IDs

• CAS Number: 38377-38-7
• MDL Number: MFCD00013257
• PubChem SID: 24859742; 162083806
• PubChem CID: 2733256

CALCULATED PROPERTIES

• Molar Refractivity: 38.1198 cm^3
• Polarizability: 14.619859 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7299354
• LogD (pH = 7.4): 2.7299354
• Log P: 2.7299354

PROPERTIES

Physical Property

• Flash Point: 168.8 °F; 76 °C
• Density: 1.329; 1.329 g/mL at 25 °C(lit.)
• Refractive Index: 1.4933; n20/D 1.4933(lit.)

Safety Information

• Storage Warning: Highly Toxic/Corrosive
• European Hazard Symbols: Toxic (T)
• UN Number: 3277
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25-34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H314-H331
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3277 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Linear Formula: ClCO2C6H4F

DETAILS

Sigma Aldrich - 328723

Packaging
1, 5 g in glass bottle