ethenyl chloroformate

• ChemBase ID: 87530
• Molecular Formular: C3H3ClO2
• Molecular Mass: 106.50772
• Monoisotopic Mass: 105.98215702
• SMILES: O(C=C)C(=O)Cl
• Canonical SMILES: ClC(=O)OC=C
• InChI: InChI=1S/C3H3ClO2/c1-2-6-3(4)5/h2H,1H2
• InChIKey: PQLFROTZSIMBKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenyl chloroformate
• IUPAC Traditional name: ethenyl chloroformate
• Synonyms: Ethenyl carbonochloridoate; Vinyl chloroformate 99%; Vinyl Chloroformate; Vinyl chloroformate; 氯甲酸乙烯酯

Database IDs

• CAS Number: 5130-24-5
• EC Number: 225-874-2
• MDL Number: MFCD00000641
• Beilstein Number: 1741679
• PubChem SID: 24874664; 162074570; 24855885
• PubChem CID: 78808

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4339495
• LogD (pH = 7.4): 1.4339495
• Log P: 1.4339495
• Molar Refractivity: 21.818 cm^3
• Polarizability: 8.786973 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-68°C; 68-69 °C/735 mmHg(lit.)
• Flash Point: 24.8 °F; -4 °C; -4°C
• Density: 1.166; 1.166 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.41(lit.)
• Vapor Pressure: 0.88 psi ( 20 °C)

Safety Information

• Storage Warning: Highly Flammable/Corrosive/Toxic/Lachrymatory/Keep Cold/Light Sensitive/Moisture Sensitive
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 3390
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 11-23/24/25-34
• Safety Statements: 16-26-36/37-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301 + H311 + H331-H314
• GHS Precautionary statements: P210-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 3390 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: 94%; 99%
• Contains: 100 ppm BHT as inhibitor
• Linear Formula: CH2=CHOCOCl

DETAILS

Apollo Scientific Ltd - OR3129

Stabilised with 50-100ppm BHT

Sigma Aldrich - 528064

Packaging
5, 10 mL in glass bottle

Sigma Aldrich - 263796

Packaging
5, 10 mL in glass bottle