pentanedioyl dichloride

• ChemBase ID: 90931
• Molecular Formular: C5H6Cl2O2
• Molecular Mass: 169.00594
• Monoisotopic Mass: 167.97448479
• SMILES: O=C(CCCC(=O)Cl)Cl
• Canonical SMILES: ClC(=O)CCCC(=O)Cl
• InChI: InChI=1S/C5H6Cl2O2/c6-4(8)2-1-3-5(7)9/h1-3H2
• InChIKey: YVOFTMXWTWHRBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentanedioyl dichloride
• IUPAC Traditional name: glutaryl chloride
• Synonyms: Pentane-1,5-dioyl dichloride; Propane-1,3-dicarbonyl dichloride; Glutaryl chloride; Glutaryl chloride; Pentanedioyl dichloride; 1,3-Propanedicarbonyl chloride; Glutaryl dichloride; 戊二酰基二氯; 二氯戊二醛

Database IDs

• CAS Number: 2873-74-7
• EC Number: 220-711-1
• MDL Number: MFCD00000755
• Beilstein Number: 1363191
• PubChem SID: 162077635; 24895177
• PubChem CID: 17887

CALCULATED PROPERTIES

• Acid pKa: 19.272276
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.112745
• LogD (pH = 7.4): 1.112745
• Log P: 1.112745
• Molar Refractivity: 35.855 cm^3
• Polarizability: 14.013421 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 216-218 °C(lit.); 216-218°C; 216-218°C
• Flash Point: 106°C(222°F); 107 °C; 107°C; 224.6 °F
• Density: 1.315 g/mL at 20 °C; 1.324; 1.324 g/mL at 25 °C(lit.)
• Refractive Index: 1.4720; n20/D 1.472; n20/D 1.472(lit.)

Safety Information

• Storage Warning: Corrosive/Toxic/Harmful/Lachrymatory/Moisture Sensitive/Store under Argon; Moisture Sensitive
• RTECS: SA2583000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2922; UN2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; II
• Risk Statements: 14-22-34; 22-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314; H301-H314-H318
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P301 + P310-P305 + P351 + P338-P310; 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 2922 8/PG 3

Product Information

• Purity: ≥97.0% (T); 97%
• Grade: technical
• Linear Formula: ClCO(CH2)3COCl

DETAILS

Sigma Aldrich - G4608

Packaging
25, 100 g in glass bottle