5,11-dioxatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),8-triene-4,6,10,12-tetrone

• ChemBase ID: 89381
• Molecular Formular: C10H2O6
• Molecular Mass: 218.11928
• Monoisotopic Mass: 217.98513778
• SMILES: o1c(=O)c2cc3c(cc2c1=O)c(=O)oc3=O
• Canonical SMILES: O=c1oc(=O)c2c1cc1c(=O)oc(=O)c1c2
• InChI: InChI=1S/C10H2O6/c11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-2H
• InChIKey: ANSXAPJVJOKRDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,11-dioxatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),8-triene-4,6,10,12-tetrone; 5,11-dioxatricyclo[7.3.0.0^3,^7]dodeca-1,3(7),8-triene-4,6,10,12-tetrone
• IUPAC Traditional name: pyromellitic dianhydride
• Synonyms: Pyromellitic dianhydride; 1,2,4,5-Benzenetetracarboxylic dianhydride; PYROMELLITIC DIANHYDRIDE; PMDA; Benzene-1,2,4,5-tetracarboxylic dianhydride; Pyromellitic dianhydride; Benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetraone; 1,2,4,5-Benzenetetracarboxylic dianhydride; 1,2,4,5-苯四甲羧酸二酐; 均苯四甲酸酐; 均苯四甲酸二酐

Database IDs

• CAS Number: 89-32-7
• EC Number: 201-898-9
• MDL Number: MFCD00005005
• Beilstein Number: 213583
• PubChem SID: 24888094; 162076261; 24865800
• PubChem CID: 6966

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8719215
• LogD (pH = 7.4): 0.8719215
• Log P: 0.8719215
• Molar Refractivity: 48.672 cm^3
• Polarizability: 18.064749 Å^3
• Polar Surface Area: 86.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 283-286 °C(lit.); 283-288°C; 284-288 °C; 284-288°C
• Boiling Point: 305-310°C/30mm; 397-400 °C(lit.); 397-400°C
• Flash Point: 380 °C; 380°C; 380°C(716°F); 716 °F
• Density: 1.68

Safety Information

• Storage Warning: Irritant/Corrosive/Moisture Sensitive/Store under Argon; Moisture Sensitive
• RTECS: DB9300000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 41-42/43; R:41-42/43
• Safety Statements: 22-24-26-37/39; S:22-24-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H318-H334; H334-H317-H318-H303
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311; P285-P261-P305+P351+P338-P302+P352-P321-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥75% (T); 97%
• Grade: technical
• Impurities: ~20% pyromellitic acid monoanhydride
• Empirical Formula (Hill Notation): C10H2O6

DETAILS

MP Biomedicals - 05218237

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 412287

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 83190

Other Notes
Modifies the ε-amino group of lysine in proteins by acylation1