Terephthaldicarboxaldehyde

• Catalog Number: ACM623278
• Product Name: Terephthaldicarboxaldehyde
• CAS: 623-27-8
• Category: Heterocyclic Organic Compound
• IUPAC Name: terephthalaldehyde
• Molecular Weight: 134.13g/mol
• Molecular Formula: C8H6O2
• Canonical SMILES: C1=CC(=CC=C1C=O)C=O
• InChI: InChI=1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H
• InChI Key: KUCOHFSKRZZVRO-UHFFFAOYSA-N
• Boiling Point: 246.0 °C;246 °C
• Melting Point: 117.0 °C;117 °C
• Flash Point: 76 °C (169 °F) - closed cup
• Solubility: 0.00 M;In water, 200 mg/L at 25 °C;Insoluble in water;Very soluble in ethanol; soluble in ethyl ether, chloroform, alkalies
• Color/Form: Needles from water
• Complexity: 107
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.
• EC Number: 210-784-8
• Exact Mass: 134.036779g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 10
• LogP: log Kow = 1.43 (est)
• Monoisotopic Mass: 134.036779g/mol
• NSC Number: 13395
• Other Experimental: Henry's Law constant = 3.35X10-8 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.4X10-11 cu cm/molec-sec at 25 °C (est)
• Rotatable Bond Count: 2
• Stability: Stable under recommended storage conditions.
• UNII: M2Y6E4N2TS
• Vapor Pressure: 4.02X10-3 mm Hg at 25 °C (est)
• XLogP3: 0.9