cyclopropanecarbonyl chloride

• ChemBase ID: 69538
• Molecular Formular: C4H5ClO
• Molecular Mass: 104.5349
• Monoisotopic Mass: 104.00289246
• SMILES: C1(CC1)C(=O)Cl
• Canonical SMILES: ClC(=O)C1CC1
• InChI: InChI=1S/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2
• InChIKey: ZOOSILUVXHVRJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropanecarbonyl chloride
• IUPAC Traditional name: cyclopropanecarbonyl chloride
• Synonyms: CYCLOPROPYLCARBOXYL CHLORIDE; cyclopropanecarbonyl chloride; Cyclopropanecarboxylic acid chloride; Cyclopropanecarbonyl chloride; (Chlorocarbonyl)cyclopropane; (Chloroformyl)cyclopropane; Cyclopropanecarbonyl chloride 98+%; Cyclopropanecarboxylic acid chloride; 环丙烷甲酰氯; 环丙甲酰氯; 环丙烷甲酰氯

Database IDs

• CAS Number: 4023-34-1
• EC Number: 223-684-4
• MDL Number: MFCD00001277
• Beilstein Number: 471286
• PubChem SID: 162035264; 24858007; 24892371
• PubChem CID: 77637

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0897802
• LogD (pH = 7.4): 1.0897802
• Log P: 1.0897802
• Molar Refractivity: 23.9014 cm^3
• Polarizability: 9.37168 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 119 °C(lit.); 119-120°C; 119-121°C
• Flash Point: 23 °C; 23°C; 23°C(73°F); 73.4 °F
• Density: 1.150; 1.152; 1.152 g/mL at 25 °C(lit.)
• Refractive Index: 1.4520; n20/D 1.452(lit.); n20/D 1.453

Safety Information

• Storage Warning: Corrosive/Flammable/Toxic/Moisture Sensitive/Store under Argon/Keep Cold; IRRITANT; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2920; UN2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-25-34; 10-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H301-H314-H318-H226
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-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 2920 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 95+%; 98%
• Grade: purum
• Linear Formula: C3H5COCl

DETAILS

MP Biomedicals - 05209518

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C116807

Packaging
5, 25, 100 g in glass bottle