butanedioyl dichloride

• ChemBase ID: 104649
• Molecular Formular: C4H4Cl2O2
• Molecular Mass: 154.97936
• Monoisotopic Mass: 153.95883473
• SMILES: ClC(=O)CCC(=O)Cl
• Canonical SMILES: ClC(=O)CCC(=O)Cl
• InChI: InChI=1S/C4H4Cl2O2/c5-3(7)1-2-4(6)8/h1-2H2
• InChIKey: IRXBNHGNHKNOJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butanedioyl dichloride
• IUPAC Traditional name: succinyl chloride
• Synonyms: Butanedioyl dichloride; Butanedioyl chloride; Succinyl chloride; SUCCINYL DICHLORIDE; Succinic acid dichloride; Succinyl chloride; 丁二酰氯; 琥珀酰氯

Database IDs

• CAS Number: 543-20-4
• EC Number: 208-838-0
• MDL Number: MFCD00000749
• Beilstein Number: 507064
• Merck Index: 148873
• PubChem SID: 24899704; 162092793; 24848498
• PubChem CID: 10970

CALCULATED PROPERTIES

• Acid pKa: 16.798773
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6681763
• LogD (pH = 7.4): 0.6681763
• Log P: 0.6681763
• Molar Refractivity: 31.254 cm^3
• Polarizability: 12.218524 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 15-18 °C(lit.); 16-17°C; 16-17°C
• Boiling Point: 190 °C(lit.); 190°C; 190°C; 95-96 °C/16 mmHg(lit.)
• Flash Point: 168.8 °F; 76 °C; 76.6°C; 76°C(168°F)
• Density: 1.370; 1.379 g/mL at 20 °C; 1.407 g/ml; 1.407 g/mL at 25 °C(lit.)
• Refractive Index: 1.4710; n20/D 1.468(lit.); n20/D 1.470

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Moisture Sensitive
• RTECS: WN4900000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3094
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 14-34; R:34
• Safety Statements: 26-36/37/39-45; 8-26-36/37/39-45; S:26-27/28-36/37/39-46-64
• EU Classification: C3
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-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
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥90% (AT); 95%; 96%
• Grade: technical
• Linear Formula: ClCOCH2CH2COCl

DETAILS

MP Biomedicals - 02156694

1 ml = approx 1.37 g

Sigma Aldrich - S6452

Packaging
25, 100 g in Sure/Seal™