nonanedioyl dichloride

• ChemBase ID: 146404
• Molecular Formular: C9H14Cl2O2
• Molecular Mass: 225.11226
• Monoisotopic Mass: 224.03708505
• SMILES: C(CCCC(=O)Cl)CCCC(=O)Cl
• Canonical SMILES: ClC(=O)CCCCCCCC(=O)Cl
• InChI: InChI=1S/C9H14Cl2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-7H2
• InChIKey: HGEVGSTXQGZPCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonanedioyl dichloride
• IUPAC Traditional name: nonanedioyl dichloride
• Synonyms: Nonanedioyl chloride; Nonanedioyl dichloride; Azelaoyl chloride; Azelaic acid dichloride; 壬二酰氯; 壬二酰二氯

Database IDs

• CAS Number: 123-98-8
• EC Number: 204-668-6
• MDL Number: MFCD00000767
• Beilstein Number: 1365424
• PubChem SID: 24858055; 162240601
• PubChem CID: 67165

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8910196
• LogD (pH = 7.4): 2.8910196
• Log P: 2.8910196
• Molar Refractivity: 54.259 cm^3
• Polarizability: 21.263908 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 166 °C/18 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 1.143 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.467(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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: 98%
• Linear Formula: ClOC(CH2)7COCl

DETAILS

Sigma Aldrich - 299693

Packaging
25 g in glass bottle