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| CAS No.: | 27115-36-2 |
|---|---|
| Name: | CHROMIUM FORMATE |
| Molecular Structure: | |
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| Formula: | C3H6CrO6 |
| Molecular Weight: | 187.049 |
| Synonyms: | Chromiumformate (6CI,7CI);Formic acid, chromium(3+) salt (8CI,9CI);Chromic formate;Chromium(III) formate; |
| EINECS: | 248-230-2 |
| Density: | 1.57[at 20℃] |
| Melting Point: | 8.4oC |
| Boiling Point: | 100.6 °C at 760 mmHg |
| Flash Point: | 29.9 °C |
| Solubility: | 1000g/L at 20℃ |
| PSA: | 37.30000 |
| LogP: | 0.33670 |
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Specification
The Formic acid,chromium(3+) salt (3:1), with the CAS registry number 27115-36-2 and EINECS registry number 248-230-2, has the systematic name and IUPAC name of chromium(3+) triformate. It is also called formic acid, chromium(3+) salt (3:1). And the molecular formula of the chemical is C3H6CrO6.
The characteristics of Formic acid,chromium(3+) salt (3:1) are as followings: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.3; (4)ACD/LogD (pH 7.4): -3.94; (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: 37.3 Å2; (13)Flash Point: 29.9 °C; (14)Enthalpy of Vaporization: 22.69 kJ/mol; (15)Boiling Point: 100.6 °C at 760 mmHg; (16)Vapour Pressure: 36.5 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cr+3].[O-]C=O.[O-]C=O.[O-]C=O
(2)InChI: InChI=1/3CH2O2.Cr/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3
(3)InChIKey: QOWZHEWZFLTYQP-DFZHHIFOAK