Aceticacid, 2,2,2-trichloro-, calcium salt (2:1) supplier

Name
calcium trichloroacetate
EINECS 244-339-4
CAS No. 21348-16-3
Density
Solubility
Melting Point
Formula C₂HCl₃O₂.1/2Ca
Boiling Point 196.5 °C at 760 mmHg
Molecular Weight 183.42
Flash Point 66.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, trichloro-, calcium salt (8CI,9CI);Calcium trichloroacetate;TCA calciumsalt;Calcium bis(trichloroacetate);TCA-calcium;AC1L3GO1;CID88874;Calcium 2,2,2-trichloroacetate;
PSA 80.26000
LogP 0.21300

Aceticacid, 2,2,2-trichloro-, calcium salt (2:1) Specification

The Aceticacid, 2,2,2-trichloro-, calcium salt (2:1) with CAS registry number of 21348-16-3 is also known as Aceticacid, trichloro-, calcium salt (8CI,9CI). The IUPAC name is Calcium 2,2,2-trichloroacetate. Its EINECS registry number is 244-339-4. In addition, the formula is C₂HCl₃O₂.1/2Ca and the molecular weight is 183.42.

Physical properties about Aceticacid, 2,2,2-trichloro-, calcium salt (2:1) are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.07; (4)ACD/LogD (pH 7.4): -2.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (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: 66.3 °C; (14)Enthalpy of Vaporization: 47.69 kJ/mol; (15)Boiling Point: 196.5 °C at 760 mmHg; (16)Vapour Pressure: 0.17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: [Ca+2].O=C([O-])C(Cl)(Cl)Cl.ClC(Cl)(Cl)C([O-])=O
2. InChI: InChI=1/2C2HCl3O2.Ca/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
3. InChIKey: PAFYVDNYOJAWDX-NUQVWONBAD
4. Std. InChI: InChI=1S/2C2HCl3O2.Ca/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
5. Std. InChIKey: PAFYVDNYOJAWDX-UHFFFAOYSA-L

Product Name

calcium trichloroacetate

Aceticacid, 2,2,2-trichloro-, calcium salt (2:1) Specification

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