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CAS No.: | 1113-38-8 |
---|---|
Name: | Ethanedioic acid diammonium salt |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C2H8N2O4 |
Molecular Weight: | 124.097 |
Synonyms: | Ammoniumoxalate (6CI,7CI);Ethanedioic acid, diammonium salt (9CI);Oxalic acid,diammonium salt (8CI);Diammonium oxalate; |
EINECS: | 214-202-3 |
Density: | 1.5000 |
Boiling Point: | 365.1 °C at 760 mmHg |
Flash Point: | 188.8 °C |
Solubility: | soluble in water |
Appearance: | Colorless transparent crystal |
Hazard Symbols: | Xn |
Risk Codes: | 21/22 |
Safety: | 24/25 |
Transport Information: | UN 1759 8/PG 3 |
PSA: | 81.08000 |
LogP: | -0.19660 |
Conditions | Yield |
---|---|
2-stdg. Kochen; |
hydrogen cyanide
butanone
A
α-methyl-α-hydroxybutyramide
B
ammonium oxalate
Conditions | Yield |
---|---|
im Licht; |
Conditions | Yield |
---|---|
at 110℃; |
diisonitroso acetone
water
A
hydrogen cyanide
B
carbonic-acid
C
ammonium oxalate
Conditions | Yield |
---|---|
beim Eindampfen; |
hydrogen cyanide
water
butanone
A
α-methyl-α-hydroxybutyramide
B
Oxalamide
C
ammonium oxalate
Conditions | Yield |
---|---|
im Sonnenlicht; |
ethyl isothiocyanate
A
Diethyl disulfide
B
ammonium cyanide
C
ammonium oxalate
D
urea
Conditions | Yield |
---|---|
at 100℃; im zugeschmolzenen Rohr; Produkt 5: Ammoniumcarbonat; |
Conditions | Yield |
---|---|
at 110℃; |
Conditions | Yield |
---|---|
at 125 - 250℃; |
ammonia
phenol; compound with oxalic acid
A
ammonium oxalate
B
phenol
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Reported in EPA TSCA Inventory.
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD
The Ammonium oxalate, with the CAS registry number 1113-38-8, is also known as Diammonium ethanedioate. Its EINECS registry number is 214-202-3. This chemical's molecular formula is C2H8N2O4 and molecular weight is 124.10. What's more, its IUPAC name is called Diazanium oxalate. It should be stored in a cool, dry and well-ventilated place. This chemical is an oxalate salt with ammonia. It is a constituent of some types of kidney stone. Found also in guano. Firstly, take oxalic acid dissolved in water, add it into the ammonia solution and keep stirring the solution rapidly while it is cooled to 25 °C, then filter out the crystals, and dred at room temperature to get Ammonium oxalate. This chemical can be used for the analysis of reagent and has been used in organic synthesis as intermediate.
Physical properties about Ammonium oxalate are: (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: 74.6 Å2; (13)Flash Point: 188.8 °C; (14)Enthalpy of Vaporization: 67.15 kJ/mol; (15)Boiling Point: 365.1 °C at 760 mmHg; (16)Vapour Pressure: 2.51E-06 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it is harmful in contact with skin and if swallowed. Therefore, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-]C(=O)C([O-])=O.[NH4+].[NH4+]
(2) InChI: InChI=1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3
(3) InChIKey: VBIXEXWLHSRNKB-UHFFFAOYSA-N