Basic information
- Name:
Ethanedioic acid,ammonium salt, hydrate (1:2:1)
- Superlist Name:
- Ammonium oxalate monohydrate
- CAS No.:
6009-70-7
- Molecular Structure:
- Formula:
- C2H8N2O4.H2O
- Molecular Weight:
- 142.11
- Synonyms:
- Ethanedioicacid, diammonium salt, monohydrate (9CI);Oxalic acid, diammonium salt,monohydrate (8CI);Ammonium oxalate ((NH4)2C2O4) monohydrate;Diammonium oxalate monohydrate;
- EINECS:
- 238-135-4
- Density:
- 1.5 g/cm3
- Melting Point:
- 133 °C (dec.)(lit.)
- Boiling Point:
- 365.1 °C at 760 mmHg
- Flash Point:
- 188.8 °C
- Solubility:
- H2O: 0.1 M at 20 °C, clear, colorless
- Appearance:
- White solid
- Hazard Symbols:
Xn- Risk Codes:
- 21/22
- Safety Description:
- 24/25 Details
- Transport Information:
- UN 1759 8/PG 3
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Specification
The Ethanedioic acid,ammonium salt, hydrate (1:2:1), with CAS registry number 6009-70-7, belongs to the following product category: Industrial/Fine Chemicals. It has the systematic name of ethanedioic acid diammoniate hydrate. This chemical is a kind of white solid. And it should be stored at the room temperature.
Physical properties of Ethanedioic acid,ammonium salt, hydrate (1:2:1): (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.7; (4)ACD/LogD (pH 7.4): -5.94; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.6 Å2.
Preparation: this chemical can be prepared by Ammonia and ammonium carbonate. This two chemical should add into oxalic acid, so they can happen the neutralization reaction. After concentration, it can be the Ethanedioic acid,ammonium salt, hydrate (1:2:1).
When you are using this chemical, please be cautious about it as the following:
The Ethanedioic acid,ammonium salt, hydrate (1:2:1) is harmful in contact with skin and if swallowed. When use this chemical, avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(=O)O.O.N.N
(2)InChI: InChI=1/C2H2O4.2H3N.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H3;1H2
(3)InChIKey: MSMNVXKYCPHLLN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C2H2O4.2H3N.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H3;1H2
(5)Std. InChIKey: MSMNVXKYCPHLLN-UHFFFAOYSA-N