Acetic acid,gadolinium(3+) salt (3:1) supplier

Name
GADOLINIUM ACETATE
EINECS 240-204-9
CAS No. 16056-77-2
Article Data6
CAS DataBase
Density
Solubility soluble in water
Melting Point
Formula C₂H₄O₂.1/3Gd
Boiling Point 117.1 °C at 760 mmHg
Molecular Weight 334.384
Flash Point 40 °C
Transport Information
Appearance white to off-white crystals, possible acetic odor
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, gadolinium(3+) salt (8CI,9CI);Gadolinium acetate (6CI,7CI);Gadoliniumtriacetate;Gadolinium tris(acetate);Gadolinium(3+) acetate;Gadolinium(III)acetate;AC1L4MGE;AR-1J1118;AR-1J1119;CID159771;
PSA 120.39000
LogP -3.73140

Acetic acid,gadolinium(3+) salt (3:1) Specification

The Acetic acid,gadolinium(3+) salt (3:1) with CAS registry number of 16056-77-2 is also known as Gadolinium tris(acetate). The IUPAC name is Gadolinium(3+) triacetate. This chemical is a white to off-white crystal with possible acetic odor. In addition, the formula is C₂H₄O₂.1/3Gd and the molecular weight is 112.46.

Physical properties about Acetic acid,gadolinium(3+) salt (3:1) are: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.3Å²; (13)Flash Point: 40 °C; (14)Enthalpy of Vaporization: 23.7 kJ/mol; (15)Boiling Point: 117.1 °C at 760 mmHg; (16)Vapour Pressure: 13.9 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: [Gd+3].O=C([O-])C.[O-]C(=O)C.[O-]C(=O)C
2. InChI: InChI=1/3C2H4O2.Gd/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
3. InChIKey: LYQGMALGKYWNIU-DFZHHIFOAW
4. Std. InChI: InChI=1S/3C2H4O2.Gd/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
5. Std. InChIKey: LYQGMALGKYWNIU-UHFFFAOYSA-K

Product Name

GADOLINIUM ACETATE

Acetic acid,gadolinium(3+) salt (3:1) Specification

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