2-fluoroethyl chloroformate

• ChemBase ID: 149794
• Molecular Formular: C3H4ClFO2
• Molecular Mass: 126.5140632
• Monoisotopic Mass: 125.98838527
• SMILES: C(CF)OC(=O)Cl
• Canonical SMILES: FCCOC(=O)Cl
• InChI: InChI=1S/C3H4ClFO2/c4-3(6)7-2-1-5/h1-2H2
• InChIKey: FOHSVPIFZASOED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroethyl chloroformate
• IUPAC Traditional name: 2-fluoroethyl chloroformate
• Synonyms: 2-Fluoroethyl chloroformate; 2-氟乙基氯甲酸

Database IDs

• CAS Number: 462-27-1
• MDL Number: MFCD01726287
• PubChem SID: 162243956; 24874472
• PubChem CID: 10017

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1302649
• LogD (pH = 7.4): 1.1302649
• Log P: 1.1302649
• Molar Refractivity: 22.726 cm^3
• Polarizability: 8.975025 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 131-135 °C(lit.)
• Flash Point: 136.4 °F; 58 °C
• Density: 1.34 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4(lit.)
• Vapor Pressure: 0.83 mmHg ( 20 °C)

Safety Information

• RTECS: LQ6300000
• European Hazard Symbols: Toxic (T)
• UN Number: 2742
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23-34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314-H331
• GHS Precautionary statements: P261-P280-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 2742 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: ClCO2CH2CH2F

DETAILS

Sigma Aldrich - 525138

Packaging
1 g in glass bottle