furan-2-carbonyl chloride

• ChemBase ID: 80493
• Molecular Formular: C5H3ClO2
• Molecular Mass: 130.52912
• Monoisotopic Mass: 129.98215702
• SMILES: o1c(ccc1)C(=O)Cl
• Canonical SMILES: ClC(=O)c1ccco1
• InChI: InChI=1S/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3H
• InChIKey: OFTKFKYVSBNYEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-carbonyl chloride
• IUPAC Traditional name: furoyl chloride
• Synonyms: Furan-2-carbonyl chloride; 2-Furoyl chloride; 2-Furoyl chloride; 2-呋喃甲酰氯; 2-呋喃碳酰氯; 呋喃甲酰氯

Database IDs

• CAS Number: 527-69-5
• EC Number: 208-422-9
• MDL Number: MFCD00003228
• Beilstein Number: 110144
• Merck Index: 144310
• PubChem SID: 162067613; 24848981; 24871562
• PubChem CID: 68242

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.224405
• LogD (pH = 7.4): 1.224405
• Log P: 1.224405
• Molar Refractivity: 29.5636 cm^3
• Polarizability: 11.076166 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -2 °C(lit.); -2 to 1°C; -2°C
• Boiling Point: 173-174 °C(lit.); 173-174°C; 173-174°C
• Flash Point: 185 °F; 85 °C; 85°C; 85°C(185°F)
• Density: 1.324 g/mL at 25 °C(lit.); 1.325
• Refractive Index: 1.5310; n20/D 1.531(lit.); n20/D 1.532

Safety Information

• Storage Warning: Corrosive/Harmful/Lachrymatory/Moisture Sensitive/Store under Argon; Moisture Sensitive
• RTECS: LT9925000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 22-34; 34
• Safety Statements: 20-23-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318-H227; H314
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; 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 3265 8/PG 2

Product Information

• Purity: ≥96.0% (GC); 95%; 98+%
• Grade: purum
• Empirical Formula (Hill Notation): C5H3ClO2

DETAILS

Sigma Aldrich - 149861

Packaging
25, 100 g in glass bottle