Chelidonic acid supplier

Name
Chelidonic acid
EINECS 202-749-0
CAS No. 99-32-1
Article Data24
CAS DataBase
Density 1.821 g/cm³
Solubility 14.3g/L(25 oC)
Melting Point 265 °C (dec.)(lit.)
Formula C₇H₄O₆
Boiling Point 471.3 °C at 760 mmHg
Molecular Weight 184.105
Flash Point 204.1 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Chelidonicacid (6CI);2,6-Dicarboxy-4-pyrone;4-Oxo-1,4-pyran-2,6-dicarboxylic acid;4-Oxo-4H-pyran-2,6-dicarboxylic acid;4-Pyranone-2,6-dicarboxylic acid;Jervaacid;Jervaic acid;Jervasic acid;NSC 3979;g-Pyrone-2,6-dicarboxylic acid;
PSA 104.81000
LogP 0.03620

Chelidonic acid Specification

The cas register number of Chelidonic acid is 99-32-1. It also can be called as 4-Oxo-4H-pyran-2,6-dicarboxylic acid and the IUPAC Name about this chemical is 4-oxopyran-2,6-dicarboxylic acid. It belongs to the Miscellaneous.

Physical properties about Chelidonic acid are: (1)ACD/LogP: -0.78; (2)ACD/LogD (pH 5.5): -5.52; (3)ACD/LogD (pH 7.4): -5.53; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 78.9Å²; (12)Index of Refraction: 1.635; (13)Molar Refractivity: 36.2 cm³; (14)Molar Volume: 101 cm³; (15)Polarizability: 14.35x10^-24cm³; (16)Surface Tension: 98.4 dyne/cm; (17)Enthalpy of Vaporization: 80.42 kJ/mol; (18)Vapour Pressure: 3.47E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(OC(=CC1=O)C(=O)O)C(=O)O
(2)InChI: InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)
(3)InChIKey: PBAYDYUZOSNJGU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 54, 1954.

Product Name

Chelidonic acid

Chelidonic acid Specification

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