ChemicalBook--->CAS DataBase List--->623-27-8

623-27-8

623-27-8 Structure

623-27-8 Structure
IdentificationMore
[Name]

1,4-Phthalaldehyde
[CAS]

623-27-8
[Synonyms]

1,4-BENZENEDICARBALDEHYDE
1,4-BENZENEDICARBOXALDEHYDE
1,4-PHTHALALDEHYDE
AKOS BBS-00004795
BENZENE-1,4-DICARBOXALDEHYDE
P-PHTHALALDEHYDE
P-PHTHALICDICARBOXALDEHYDE
TEREPHTHALALDEHYDE
TEREPHTHALDIALDEHYDE
TEREPHTHALDICARBOXALDEHYDE
TEREPHTHALIC ALDEHYDE
TPAL
1,4-Benzenedialdehyde
1,4-Diformylbenzene
4-Formylbenzaldehyde
p-Benzenedialdehyde
p-Benzenedicarboxaldehyde
p-Formylbenzaldehyde
p-Phthaldialdehyde
Terephtaldehyde
[EINECS(EC#)]

210-784-8
[Molecular Formula]

C8H6O2
[MDL Number]

MFCD00006949
[Molecular Weight]

134.13
[MOL File]

623-27-8.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO LIGHT YELLOW CRYSTALLINE POWDER
[Melting point ]

114-116 °C (lit.)
[Boiling point ]

245-248 °C (lit.)
[density ]

1,06 g/cm3
[vapor pressure ]

0.25-0.46Pa at 20-25℃
[refractive index ]

1.4800 (estimate)
[Fp ]

76 °C
[storage temp. ]

Store below +30°C.
[solubility ]

3g/l
[form ]

Crystalline Powder
[color ]

White to light yellow
[Water Solubility ]

3 g/L (50 ºC)
[Sensitive ]

Air Sensitive
[BRN ]

385863
[Henry's Law Constant]

1.6×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
[Cosmetics Ingredients Functions]

PRESERVATIVE
[InChI]

1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H
[InChIKey]

KUCOHFSKRZZVRO-UHFFFAOYSA-N
[SMILES]

[H]C(=O)c1ccc(cc1)C([H])=O
[LogP]

1 at 20.1℃ and pH6.6-6.8
[CAS DataBase Reference]

623-27-8(CAS DataBase Reference)
[NIST Chemistry Reference]

1,4-Benzenedicarboxaldehyde(623-27-8)
[EPA Substance Registry System]

623-27-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

1
[RTECS ]

WZ0430000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29122900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
[Hazardous Substances Data]

623-27-8(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->Chlorine-->P-XYLENE
[Preparation Products]

1,4-Bis(4-cyanostyryl)benzene-->1,4-BIS(2-METHYLSTYRYL)BENZENE-->1-(2-Cyanostyryl)-4-(4-cyanostyryl)benzene-->Fluorescent brightener PS-1-->2,2',5,5'-TETRAMETHYLBIPHENYL-->4-(BROMODIFLUOROMETHYL)-1-(DIFLUOROMETHYL)BENZENE-->4-PHENYLENEDIACRYLIC ACID-->1,4-Bis(2-cyanostyryl)benzene-->4',4''''-(1,4-PHENYLENE)BIS(2,2':6',2''-TERPYRIDINE)-->4-CHLOROMETHYLBENZALDEHYDE; >95%DISCONTINUED 10/25/01-->1,4-Phenylenediacetonitrile-->Terephthalic acid-->N,N'-TEREPHTHALYLIDENEDIANILINE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,4-Phthalaldehyde(623-27-8).msds
Hazard InformationBack Directory
[Description]

Terephthalaldehyde is an aromatic dialdehyde. Theoretically, the two aldehydes of terephthalaldehyde (TPA) are equivalent, so the single or double Schiff base from TPA and d-glucosamine (Glc) may be formed at the same time. It is used as an intermediate for the preparation of dyes and fluorescent whitening agents and in the synthesis of polyimines by reacting with aliphatic diamines. It is also used as a precursor for the preparation of paramagnetic microporous polymeric organic frameworks (POFs) through copolymerization with pyrrole, indole, and carbazole. As a good crosslinking agent, it could used in crosslinked chitosan hydrogel for the selective removal of anionic dyes[1].
[Chemical Properties]

WHITE TO LIGHT YELLOW CRYSTALLINE POWDER
[Uses]

Terephthalaldehyde (cas# 623-27-8) is a compound useful in organic synthesis.
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 3, p. 788, 1955
Tetrahedron Letters, 36, p. 2285, 1995 DOI: 10.1016/0040-4039(95)00191-E
[Synthesis]

Using p-xylene, carbon tetrachloride, azodiisobutyronitrile and chlorine as raw materials and solvents, chlorination to obtain benzyl chloride, and then oxidized under the catalytic effect of nitric acid and zinc nitrate, the addition of zinc nitrate impr
[Purification Methods]

Terephthalaldehyde [623-27-8] M 134.1, m 116o, b 245 -248o/771mm. Crystallise terephthalaldehyde from water. [Beilstein 7 IV 2140.]
[References]

[1] Weng Q, et al. Controllable Synthesis and Biological Application of Schiff Bases from d-Glucosamine and Terephthalaldehyde. ACS Omega, 2020; 5: 24864–24870.
Spectrum DetailBack Directory
[Spectrum Detail]

Terephthalaldehyde(623-27-8)MS
Terephthalaldehyde(623-27-8)1HNMR
Terephthalaldehyde(623-27-8)13CNMR
Terephthalaldehyde(623-27-8)IR1
Terephthalaldehyde(623-27-8)IR2
Terephthalaldehyde(623-27-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Terephthaldicarboxaldehyde, 98%(623-27-8)
[Alfa Aesar]

Terephthalaldehyde, 98+%(623-27-8)
[Sigma Aldrich]

623-27-8(sigmaaldrich)
[TCI AMERICA]

Terephthalaldehyde,>98.0%(GC)(623-27-8)
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