o-Phthalaldehyde (OPA) - ≥98% , CAS No.643-79-8

CAS: 643-79-8 Cat. No.: P108632 Formula: C₈H₆O₂ Molecular Weight: 134.13 Beilstein Registry Number: 878317 EC Number: 211-402-2

GRADE & PURITY ≥98%

Synonyms

ortho-phthaldialdehyde | 1,2-Benzenedicarboxaldehyde | o-Phthaldialdehyde | Phthaldialdehyde | Benzene-1,2-dicarboxaldehyde | Phthalic dialdehyde | o-Phthalaldehyde | ortho-Phthalaldehyde | PHTHALALDEHYDE | Phthalic dicarboxaldehyde | Phthalyldicarboxalde

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

For precolumn derivatization of amino acids for HPLC separation. For flow cytometric measurements of protein thiol groups.

Specifications

Synonyms

ortho-phthaldialdehyde | 1,2-Benzenedicarboxaldehyde | o-Phthaldialdehyde | Phthaldialdehyde | Benzene-1,2-dicarboxaldehyde | Phthalic dialdehyde | o-Phthalaldehyde | ortho-Phthalaldehyde | PHTHALALDEHYDE | Phthalic dicarboxaldehyde | Phthalyldicarboxalde

Specifications & Purity

≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 508816717
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508816717
• Canonical Smiles: C1=CC=C(C(=C1)C=O)C=O
• IUPAC Name: phthalaldehyde
• InChIKey: ZWLUXSQADUDCSB-UHFFFAOYSA-N
• INCHI: 1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H
• Isomeric SMILES: C1=CC=C(C(=C1)C=O)C=O
• WGK Germany: 3
• RTECS: TH6950000
• UN Number: 2923
• Packing Group: II
• Molecular Weight: 134.13
• Beilstein: 878317
• Reaxy-Rn: 878317
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878317&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• External Descriptors: benzaldehydes - dialdehyde

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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LMNA Tbio Prelamin-A/C (36751 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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Associated Targets(non-human)

Mycobacteroides chelonae (540 Activities)

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Meloidogyne incognita (862 Activities)

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Mus musculus (284745 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in acetic acid and methanol. Slightly soluble in water.
• Sensitivity: Air,Light and Moisture Sensitive
• Flash Point(°F): 269.6 °F
• Flash Point(°C): >110℃
• Boil Point(°C): 84°C/0.8mmHg
• Melt Point(°C): 56-57°C
• Molecular Weight: 134.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 134.037 Da
• Monoisotopic Mass: 134.037 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 115.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1