Phthaldialdehyde - CAS 643-79-8

Technical Data

IUPAC Name:	phthalaldehyde
Description:	O-Phthaldialdehyde is a biochemical used in precolumn derivatization of amino acids for HPLC separation.
Molecular Weight:	134.13
Molecular Formula:	C8H6O2
Canonical SMILES:	C1=CC=C(C(=C1)C=O)C=O
InChI:	InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H
InChI Key:	ZWLUXSQADUDCSB-UHFFFAOYSA-N
Boiling Point:	83-84 °C (0.7501 mmHg)
Melting Point:	54-57°C
Flash Point:	132°C
Density:	1.13 g/cm³
Solubility:	In water, 5 g/100 mL at 20 °C
Appearance:	Light yellow crystalline powder
Storage:	2-8°C
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00003335
LogP:	1.31160
Refractive Index:	1.622
Stability:	Stable. Air sensitive. Incompatible with strong oxidizing agents, strong bases.
Vapor Pressure:	0.0052 [mmHg]

GHS Hazard Statement:	H228 (41.04%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P260, P261, P264, P270, P271, P272, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P314, P321, P330, P332+P313, P333+P313, P362, P363, P370+P378, P391, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-10961208-B1	Product of glycidyl ether of a mono or polyhydric phenol	20191224
EP-3842466-A1	Product of glycidyl ether of a mono or polyhydric phenol, epoxy resin composition, and process for producing product of glycidyl ether of a mono or polyhydric phenol	20191224
EP-3838891-A1	Aldimines and uses thereof	20191219
WO-2021122594-A1	Aldimines and uses thereof	20191219
WO-2021127000-A1	Myeloid cell-targeted nanoparticles and related compositions and methods	20191217

PMID	Publication Date	Title	Journal
33352258	20210301	In vitro screening for chemical inhibition of the iodide recycling enzyme, iodotyrosine deiodinase	Toxicology in vitro : an international journal published in association with BIBRA
30561685	20190401	Screening the ToxCast Phase 1, Phase 2, and e1k Chemical Libraries for Inhibitors of Iodothyronine Deiodinases	Toxicological sciences : an official journal of the Society of Toxicology
25545282	20150801	Study on the interaction of plasma protein binding rate between edaravone and taurine in human plasma based on HPLC analysis coupled with ultrafiltration technique	Biomedical chromatography : BMC
22980868	20121215	Levels of biogenic amines in retail market fermented meat products	Food chemistry
22953887	20121201	Free amino acids and biogenic amines in Alicante Monastrell wines	Food chemistry

Complexity:	115
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.036779430
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.036779430
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2