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1113-38-8

Basic Information
CAS No.: 1113-38-8
Name: Ethanedioic acid diammonium salt
Article Data: 12
Molecular Structure:
Molecular Structure of 1113-38-8 (Ethanedioic acid diammonium salt)
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: HarmfulXn
Risk Codes: 21/22
Safety: 24/25
Transport Information: UN 1759 8/PG 3
PSA: 81.08000
LogP: -0.19660
Synthetic route
144-62-7

oxalic acid

1113-38-8

ammonium oxalate

Conditions
ConditionsYield
2-stdg. Kochen;

(4,5-diamino-5-hydroxy-1-methyl-2-oxo-imidazolidin-4-yl)-urea

diluted KOH-solution

diluted KOH-solution

A

1113-38-8

ammonium oxalate

B

57-13-6

urea

C

ureido-<ω-methyl-ureido>-glycolic acid

ureido-<ω-methyl-ureido>-glycolic acid

74-90-8

hydrogen cyanide

78-93-3

butanone

A

1112-12-5

α-methyl-α-hydroxybutyramide

B

1113-38-8

ammonium oxalate

C

5-methyl-5-ethyl-hydantoin

5-methyl-5-ethyl-hydantoin

Conditions
ConditionsYield
im Licht;
mesoxalic acid monohydrate

mesoxalic acid monohydrate

A

7664-41-7

ammonia

B

7732-18-5

water

C

1113-38-8

ammonium oxalate

D

ammoniumoxal urate

ammoniumoxal urate

Conditions
ConditionsYield
at 110℃;
41886-31-1

diisonitroso acetone

A

74-90-8

hydrogen cyanide

B

463-79-6

carbonic-acid

C

1113-38-8

ammonium oxalate

Conditions
ConditionsYield
beim Eindampfen;
74-90-8

hydrogen cyanide

78-93-3

butanone

A

1112-12-5

α-methyl-α-hydroxybutyramide

B

471-46-5

Oxalamide

C

1113-38-8

ammonium oxalate

D

5-methyl-5-ethyl-hydantoin

5-methyl-5-ethyl-hydantoin

Conditions
ConditionsYield
im Sonnenlicht;
542-90-5

ethyl isothiocyanate

ammonium hydroxide

A

110-81-6

Diethyl disulfide

B

71680-52-9, 130166-69-7

ammonium cyanide

C

1113-38-8

ammonium oxalate

D

57-13-6

urea

Conditions
ConditionsYield
at 100℃; im zugeschmolzenen Rohr; Produkt 5: Ammoniumcarbonat;
473-90-5

acetonedicarboxylic acid

A

1113-38-8

ammonium oxalate

B

ammoniumoxal urate

ammoniumoxal urate

Conditions
ConditionsYield
at 110℃;
64-18-6

formic acid

471-46-5

Oxalamide

A

1113-38-8

ammonium oxalate

B

carbon monoxide

carbon monoxide

Conditions
ConditionsYield
at 125 - 250℃;
7664-41-7

ammonia

66775-86-8

phenol; compound with oxalic acid

A

1113-38-8

ammonium oxalate

B

108-95-2

phenol

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    Ethanedioic acid diammonium salt

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

Specification

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