Compound: o-Phthalaldehyde
SMILES: O=Cc1c(cccc1)C=O
InChIKey: ZWLUXSQADUDCSB-UHFFFAOYSA-N
Synonyms: o-Phthalaldehyde, 643-79-8, PHTHALALDEHYDE, o-Phthaldialdehyde, 1,2-Benzenedicarboxaldehyde, Phthalic aldehyde, ortho-Phthalaldehyde, benzene-1,2-dicarbaldehyde, Phthalic dialdehyde, Phthalic dicarboxaldehyde, Phthalyldicarboxaldehyde, Phthalaldialdehyde, ortho Phthalaldehyde, o-Phthalicdicarboxaldehyde, 1,2-Diformylbenzene, phtharal, Phtalaldehydes, Disopa, DTXSID6032514, CHEBI:70851, 4P8QP9768A, NSC-13394, DTXCID4012514, Orthophthaldialdehyde, ortho-Phthalic Aldehyde, o Phthalaldehyde, o Phthaldialdehyde, ortho Phthalic Aldehyde, Aldehyde, ortho-Phthalic, Safe OPA, RefChem:6078, 211-402-2, Benzene-1,2-dicarboxaldehyde, Phthaldialdehyde, o-Phthaldehyde, 2-PHTHALALDEHYDE, 1,2-BENZENEDICARBALDEHYDE, orthophthalaldehyde, o-Phthalic dicarboxaldehyde, MFCD00003335, OPA, NSC 13394, OPTA, Phtharal (JAN), NCGC00166206-01, PHTHARAL [JAN], 1,2-Phthalic dicarboxaldehyde, Phtalaldehydes [French], 25750-62-3, CAS-643-79-8, Phthaldialdehyde Reagent, EINECS 211-402-2, BRN 0878317, phthalaldehyd, o-Phthalaldehyd, UNII-4P8QP9768A, o-phthal aldehyde, Disopa (TN), ortho-phthaldialdehyde, o-Phthalaldehyde (OPA), Epitope ID:176774, SCHEMBL8384, SCHEMBL33393, 4-07-00-02138 (Beilstein Handbook Reference), O-PHTHALALDEHYDE [MI], CHEMBL160145, orb2565535, orb3025199, SCHEMBL5057086, SCHEMBL9013478, SCHEMBL29412642, HSDB 8456, ORTHOPHTHALALDEHYDE [VANDF], O-PHTHALDIALDEHYDE [MART.], NSC13394, STR01056, Tox21_112347, Tox21_300404, BBL027435, EBC-03129, SBB008450, STK802214, AKOS000119186, Tox21_112347_1, CS-W013385, FP34322, NCGC00166206-02, NCGC00166206-04, NCGC00254339-01, AC-10388, NS00005771, P0280, ST51037395, EN300-21268, D03470, P-6600, SBI-0653909.0001, F037868, SR-01000944839, Q5933776, SR-01000944839-1, Phthaldialdehyde, for fluorescence, >=99.0% (HPLC), Z104494958, Phthaldialdehyde, >=97% (HPLC), powder (may contain lumps), InChI=1/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6
Theoretical properties:
molecular_formula: C8H6O2
molecular_weight: 134.13 g/mol
exact_mass: 134.036779430 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 10
topological_polar_surface_area: 34.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Long, pale yellow needles from petroleum ether (MP 56-56.5 °C). Also reported as colorless powder (MP: 54 °C)
color: Long, pale yellow needles from petroleum ether (MP 56-56.5 °C). Also reported as colorless powder (MP: 54 °C)
boiling_point: BP: 83 °C at 0.8 mm Hg
melting_point: 55.8 °C
density: Density  (at 20 °C): 1.13 g/cm³
solubility: In water, 5 g/100 mL at 20 °C
flash_point: 132 °C (270 °F) - closed cup
vapor_pressure: 0.0052 [mmHg]
Descriptions:
pubchem: Phthalaldehyde is a dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring. It has a role as an epitope. It is a member of benzaldehydes and a dialdehyde.
chebi: A dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring.
chembl: ORTHO-PHTHALALDEHYDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Phthalaldehyde (sometimes also o-phthalaldehyde or ortho-phthalaldehyde, OPA) is the chemical compound with the formula C6H4(CHO)2. It is one of three isomers of benzene dicarbaldehyde, related to phthalic acid.  This pale yellow solid is a building block in the synthesis of heterocyclic compounds and a reagent in the analysis of amino acids.  OPA dissolves in water solution at pH < 11.5. Its solutions degrade upon UV illumination and exposure to air.