2-methoxyphenyl chloroformate

• ChemBase ID: 145187
• Molecular Formular: C8H7ClO3
• Molecular Mass: 186.59238
• Monoisotopic Mass: 186.00837176
• SMILES: COc1ccccc1OC(=O)Cl
• Canonical SMILES: COc1ccccc1OC(=O)Cl
• InChI: InChI=1S/C8H7ClO3/c1-11-6-4-2-3-5-7(6)12-8(9)10/h2-5H,1H3
• InChIKey: VDLQSPNQAVRJND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyphenyl chloroformate
• IUPAC Traditional name: 2-methoxyphenyl chloroformate
• Synonyms: 2-Methoxyphenyl chloroformate; 氯甲酸 2-甲氧基苯酯

Database IDs

• CAS Number: 2293-75-6
• MDL Number: MFCD02093715
• PubChem SID: 24874019; 162239397
• PubChem CID: 3362143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4295623
• LogD (pH = 7.4): 2.4295623
• Log P: 2.4295623
• Molar Refractivity: 44.3666 cm^3
• Polarizability: 17.377459 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 244 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.253 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.519(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 3277
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 25-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314
• GHS Precautionary statements: 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

Product Information

• Purity: 98%
• Linear Formula: ClCO2C6H4OCH3

DETAILS

Sigma Aldrich - 518433

Packaging
5 g in glass bottle