2,2'-(1,4-Phenylene)bis(oxoacetaldehyde) dihydrate supplier

Name
4-PHENYLENEDIGLYOXAL DIHYDRATE
EINECS 604-604-1
CAS No. 48160-61-8
Density 1.578±0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C₁₀H₁₀O₆
Boiling Point 486.7 °C at 760 mmHg
Molecular Weight 226.18
Flash Point 248.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-PHENYLENEDIGLYOXAL DIHYDRATE;4-Phenylenediglyoxal dihydrate 95%;4-PHENYLENEDIGLYOXAL DIHYDRATE, 95+%;Zinc02529155;1,1-(1,4-Phenylene)bis(2,2-dihydroxyethanone)
PSA 86.74000
LogP 0.32120

2,2'-(1,4-Phenylene)bis(oxoacetaldehyde) dihydrate Specification

This chemical is called 2,2'-(1,4-Phenylene)bis(oxoacetaldehyde) dihydrate, and its systematic name is 2,2'-benzene-1,4-diylbis(oxoacetaldehyde) dihydrate. With the molecular formula of C₁₀H₁₀O₆, its molecular weight is 226.18. The CAS registry number of this chemical is 48160-61-8.

Other characteristics of the 2,2'-(1,4-Phenylene)bis(oxoacetaldehyde) dihydrate can be summarised as followings: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 68.28 Å²; (10)Flash Point: 248.1 °C; (11)Enthalpy of Vaporization: 79.25 kJ/mol; (12)Boiling Point: 486.7 °C at 760 mmHg; (13)Vapour Pressure: 2.77E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O.O.O=C(C=O)c1ccc(cc1)C(=O)C=O
2.InChI: InChI=1/C10H6O4.2H2O/c11-5-9(13)7-1-2-8(4-3-7)10(14)6-12;;/h1-6H;2*1H2
3.InChIKey: QVYLUAMYDJYVFM-UHFFFAOYAF

Product Name

4-PHENYLENEDIGLYOXAL DIHYDRATE

2,2'-(1,4-Phenylene)bis(oxoacetaldehyde) dihydrate Specification

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