cyclobutanecarbonyl chloride

• ChemBase ID: 85687
• Molecular Formular: C5H7ClO
• Molecular Mass: 118.56148
• Monoisotopic Mass: 118.01854252
• SMILES: O=C(C1CCC1)Cl
• Canonical SMILES: ClC(=O)C1CCC1
• InChI: InChI=1S/C5H7ClO/c6-5(7)4-2-1-3-4/h4H,1-3H2
• InChIKey: JFWMYCVMQSLLOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutanecarbonyl chloride
• IUPAC Traditional name: cyclobutanecarbonyl chloride
• Synonyms: cyclobutanecarbonyl chloride; Cyclobutancarboxylic acid chloride; Cyclobutanecarbonyl chloride; cyclobutane-1-carbonyl chloride; Cyclobutanecarbonyl chloride 98+%; 环丁烷甲酸氯; 环丁基甲酰氯

Database IDs

• CAS Number: 5006-22-4
• EC Number: 225-680-8
• MDL Number: MFCD00001319
• Beilstein Number: 956624
• PubChem SID: 162072803; 24893173
• PubChem CID: 78705

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 1.5343488
• LogD (pH = 7.4): 1.5343488
• Log P: 1.5343488
• Molar Refractivity: 28.5024 cm^3
• Polarizability: 11.190265 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1

PROPERTIES

Physical Property

• Boiling Point: 145°C; 60 °C/50 mmHg(lit.); 60°C/50mm
• Flash Point: 24°C; 37 °C; 37°C(99°F); 98.6 °F
• Density: 1.039; 1.039 g/mL at 25 °C(lit.)
• Refractive Index: 1.455; 1.4550; n20/D 1.455(lit.)
• Hydrophobicity(logP): 1.044

Safety Information

• Storage Warning: Flammable/Corrosive/Moisture Sensitive; 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: 10-34
• Safety Statements: 26-36/37/39-45; 7-20-26-33-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-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 2920 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 90%; 95%; 98%
• Linear Formula: C4H7COCl

DETAILS

Sigma Aldrich - C95706

Packaging
10, 50 g in glass bottle