Cas no 21348-16-3 (Aceticacid, 2,2,2-trichloro-, calcium salt (2:1))
21348-16-3 structure
Product Name:Aceticacid, 2,2,2-trichloro-, calcium salt (2:1)
CAS No:21348-16-3
MF:C4CaCl6O4
MW:364.836395263672
CID:290186
PubChem ID:88874
Update Time:2025-04-19
Aceticacid, 2,2,2-trichloro-, calcium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Aceticacid, 2,2,2-trichloro-, calcium salt (2:1)
- calcium,2,2,2-trichloroacetate
- AC1L3GO1
- AG-E-56430
- Calcium trichloroacetate
- CTK4E6560
- EINECS 244-339-4
- TCA-calcium
- TCA-calcium [ISO]
- 21348-16-3
- SCHEMBL6553609
- Acetic acid, 2,2,2-trichloro-, calcium salt (2:1)
- DTXSID50175616
- UNII-491SS42JXK
- ACETIC ACID, TRICHLORO-, CALCIUM SALT
- Q27259205
- 491SS42JXK
- NS00084150
-
- Inchi： 1S/2C2HCl3O2.Ca/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
- InChI Key： PAFYVDNYOJAWDX-UHFFFAOYSA-L
- SMILES： [Ca+2].ClC(C(=O)[O-])(Cl)Cl.ClC(C(=O)[O-])(Cl)Cl
Computed Properties
- Exact Mass: 361.7556
- Monoisotopic Mass: 361.755366
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 77.9
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.3
Experimental Properties
- Boiling Point: 196.5°C at 760 mmHg
- Flash Point: 66.3°C
- PSA: 80.26
Aceticacid, 2,2,2-trichloro-, calcium salt (2:1) Related Literature
-
H. Poiger,Ch. Schlatter Analyst 1976 101 808
-
D. A. Long,R. B. Gravenor,D. C. Milner Trans. Faraday Soc. 1963 59 46
-
3. Effects of wet vibro-milling on the polymorphic conversion of aragonite into calciteHiroko Momota,Mamoru Senna,Michihiko Takagi J. Chem. Soc. Faraday Trans. 1 1980 76 790
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4. Differences in thermal and mechanochemical polymorphism. Effects of impurity on the system aragonite–calciteTetsuhiko Isobe,Mamoru Senna J. Chem. Soc. Faraday Trans. 1 1988 84 1199
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