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593-85-1

Basic Information
CAS No.: 593-85-1
Name: Guanidine carbonate
Molecular Structure:
Molecular Structure of 593-85-1 (Guanidine carbonate)
Formula: C3H12N6O3
Molecular Weight: 183.12
Synonyms: Diguanidinium carbonate;Carbonic acid, compd. with guanidine (1:2);Guanidinium carbonate;Bisguanidinium carbonate;Guanidincarbonat;Guanidine Carbonate (P077);
EINECS: 209-813-7
Density: 1.25
Melting Point: >300 °C(lit.)
Boiling Point: 132.9 °C at 760 mmHg
Flash Point: 34.2 °C
Solubility: 450 g/L (20°C) in water
Appearance: white to almost white crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 26-36-22
Transport Information:
PSA: 209.31000
LogP: 0.90020
Synthetic route
113-00-8

guanidine nitrate

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
Darstellung;
28787-21-5

nitrocarbamoyl-guanidine

109-73-9

N-butylamine

A

1792-17-2

N,N'-di-n-butylurea

B

44987-80-6

N-butyl-N'-guanyl-urea

C

593-85-1

diguanidine carbonate

127099-85-8, 780722-26-1

N-Cyanoguanidine

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
With ammonia; water
With sodium carbonate at 160℃; unter Druck;
4245-76-5

N-methyl-N'-nitroguanidine

(NH4)2CO3

(NH4)2CO3

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
at 65 - 70℃;
5458-83-3

N-butyl-N'-nitro-guanidine

(NH4)2CO3

(NH4)2CO3

A

593-85-1

diguanidine carbonate

B

462-69-1

N-butylguanidine

Conditions
ConditionsYield
at 65 - 70℃;
28787-21-5

nitrocarbamoyl-guanidine

62-53-3

aniline

A

18824-43-6

N-carbamimidoyl-N'-phenyl-urea

B

593-85-1

diguanidine carbonate

C

102-07-8

bis(diphenyl)urea

D

carbamoylguanidine carbonate

carbamoylguanidine carbonate

Conditions
ConditionsYield
Produkt5:Cyanursaeure;
556-88-7

nitroguanidine

ammonium carbonate

ammonium carbonate

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
Darstellung;
cyanogendiamidine carbonate

cyanogendiamidine carbonate

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
With carbon dioxide; water
1147550-11-5

ammonium thiocyanate

NH3

NH3

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
und folgendes Erhitzen mit 1 Mol Bleicarbonat auf 120grad in geschlossenen Gefaessen;
und folgendes Erhitzen mit 1 Mol Bleicarbonat auf 120grad in geschlossenen Gefaessen;
thiocyanic acid guanidine

thiocyanic acid guanidine

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
With ethanol; water; potassium carbonate
141-83-3

carbamimidoylurea

water

water

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
at 90 - 140℃;
cyanogendiamidine carbonate

cyanogendiamidine carbonate

water

water

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
at 100℃;
113-00-8

guanidine nitrate

A

593-85-1

diguanidine carbonate

B

57-13-6

urea

Conditions
ConditionsYield
In not given Kinetics; byproducts: (NH4)2CO3, ammonium cyanate, guanidinium cyanate; heating with reflux; 3 h; 0.125 N soln. of guanidine;
7664-41-7

ammonia

1066-33-7

ammonium bicarbonate

A

108-78-1

2,4,6-triamino-s-triazine

B

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
small amt. of melamine;
141-83-3

carbamimidoylurea

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
In water byproducts: NH3, CO2; 2h at b.p., or 7-8 h at 90°C, or <30 min at 140°C (under pressure);74-98.5
497-19-8

sodium carbonate

593-85-1

diguanidine carbonate

Conditions
ConditionsYield
In water heating in closed tube;
593-85-1

diguanidine carbonate

Conditions
ConditionsYield
With ammonia In water heating in closed tube;
893420-41-2

(E)-3-dimethylamino-1-(3-ethyl-2-trifluoromethyl-3H-imidazol-4-yl)-propenone

593-85-1

diguanidine carbonate

893420-42-3

4-(3-ethyl-2-trifluoromethyl-3H-imidazol-4-yl)-pyrimidin-2-ylamine

Conditions
ConditionsYield
In 2-methoxyethoxy ether at 140℃; for 48h;100%

(E)-3-dimethylamino-1-(3-ethyl-2-trifluoromethyl-3H-imidazol-4-yl)-propenone

593-85-1

diguanidine carbonate

893420-42-3

4-(3-ethyl-2-trifluoromethyl-3H-imidazol-4-yl)-pyrimidin-2-ylamine

Conditions
ConditionsYield
In diethylene glycol dimethyl ether at 140℃; for 48h;100%
5018-30-4

dimethyl methoxymalonate

593-85-1

diguanidine carbonate

98142-98-4

2-amino-5-methoxypyrimidine-4,6-diol

Conditions
ConditionsYield
Stage #1: diguanidine carbonate With ethanol; sodium at 80℃; for 0.5h; Inert atmosphere;
Stage #2: dimethyl methoxymalonate at 80℃; for 2h;
100%
75-59-2

tetramethyl ammoniumhydroxide

593-85-1

diguanidine carbonate

cis,cis-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid

[(CH3)4N(+)]*2[C(NH2)3(+)]*[KTA(3-)]

Conditions
ConditionsYield
In water at 40℃;100%
593-85-1

diguanidine carbonate

4499-86-9

tetrapropylammonium hydroxide

cis,cis-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid

[(nC3H7)4N(+)]*2[C(NH2)3(+)]*[KTA(3-)]

Conditions
ConditionsYield
In water at 40℃;100%
593-85-1

diguanidine carbonate

cis,cis-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid

[C(NH2)3(+)]*[H2KTA(-)]

Conditions
ConditionsYield
In water100%
593-85-1

diguanidine carbonate

cis,cis-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid

3[C(NH2)3(+)]*[KTA(3-)]

Conditions
ConditionsYield
In water at 40℃;100%

cyclopentadienecarboxylic acid manganese tricarbonyl

593-85-1

diguanidine carbonate

1416228-87-9

C9H5MnO5*CH5N3

Conditions
ConditionsYield
In methanol at 20℃; Darkness;100%
33056-60-9

β-cymantrenoyl-propionic acid

593-85-1

diguanidine carbonate

1416228-98-2

C12H9MnO6*CH5N3

Conditions
ConditionsYield
In methanol at 20℃; Darkness;100%
875824-86-5

N-nitro-2,2,2-trinitroethylcarbamate

593-85-1

diguanidine carbonate

N-nitro-2,2,2-trinitroethylcarbamate guanidinum salt

Conditions
ConditionsYield
In ethyl acetate at 20℃; for 3h;100%

C14H16N8O16

593-85-1

diguanidine carbonate

C14H16N8O16*4CH5N3

Conditions
ConditionsYield
In water100%
78-83-1

2-methyl-propan-1-ol

593-85-1

diguanidine carbonate

N,N'-diisobutylguanidine

Conditions
ConditionsYield
Stage #1: diguanidine carbonate With phosphoric acid; sulfuric acid
Stage #2: 2-methyl-propan-1-ol at 80 - 100℃; for 24h;
99%
593-85-1

diguanidine carbonate

67-63-0

isopropyl alcohol

38588-65-7

N,N'-diisopropylguanidine

Conditions
ConditionsYield
Stage #1: diguanidine carbonate With phosphoric acid; sulfuric acid
Stage #2: isopropyl alcohol at 80 - 100℃; for 24h;
99%

tetrapropylammonium hydroxide

11113-50-1

boric acid

593-85-1

diguanidine carbonate

(C3H7)4N(1+)*C(NH2)3(1+)*CO3(2-)*2B(OH)3=((C3H7)4N)(C(NH2)3)CO3(B(OH)3)2

Conditions
ConditionsYield
With CO2 In water mixt. guanidinium carbonate and n-Pr4NOH (1:1) was dissolved in water, CO2 was bubbled through soln. for 30 min, aq. B(OH)3 was slowly added, soln. was stirred for 15 min; soln. was filtered, crystals were deposited over several weeks;99%

[3-fluoro-2-[2-(2-methoxypyrimidin-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-yl]-4-pyridyl]methanol

593-85-1

diguanidine carbonate

530-62-1

1,1'-carbonyldiimidazole

[3-fluoro-2-[2-(2-methoxypyrimidin-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-yl]-4-pyridyl]methyl N-amidinocarbamate

Conditions
ConditionsYield
Stage #1: [3-fluoro-2-[2-(2-methoxypyrimidin-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-yl]-4-pyridyl]methanol; 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 20℃; for 2h; Inert atmosphere;
Stage #2: diguanidine carbonate In N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere;
99%
593-85-1

diguanidine carbonate

133116-83-3

2-fluoro-6-(trifluoromethyl)benzonitrile

133116-84-4

5-(trifluoromethyl)quinazoline-2,4-diamine

Conditions
ConditionsYield
With ISOPROPYLAMIDE at 128 - 130℃; for 5h;98%
593-85-1

diguanidine carbonate

6-chloro-7-methyl-3-methylthio-1,4,2-benzodithiazin 1,1-dioxide

107639-37-2

N-(6-chloro-1,1-dioxo-7-methyl-1,4,2-benzodithiazin-3-yl)guanidine

Conditions
ConditionsYield
In toluene Heating;98%
593-85-1

diguanidine carbonate

104-88-1

4-chlorobenzaldehyde

109-77-3

malononitrile

99973-69-0

2,4-diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile

Conditions
ConditionsYield
With ZnO nanoparticles In water at 20℃; for 0.25h;98%
With CuO microspheres In water at 20℃; for 0.25h;98%
With sodium hydroxide at 70℃; Neat (no solvent);90%
With D-glucose; oxygen In water at 50℃; for 2h;86%

(3E,5E)-3,5-bis(2-chlorobenzylidene)-1-methylpiperidin-4-one

593-85-1

diguanidine carbonate

C21H20Cl2N4

Conditions
ConditionsYield
With (Fe2O3)-MCM-41-nPrNH2 In neat (no solvent) at 120℃; for 0.5h;98%

(3E,5E)-1-methyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one

593-85-1

diguanidine carbonate

C21H20N6O4

Conditions
ConditionsYield
With (Fe2O3)-MCM-41-nPrNH2 In neat (no solvent) at 120℃; for 0.333333h;98%
593-85-1

diguanidine carbonate

104-87-0

4-methyl-benzaldehyde

105-56-6

ethyl 2-cyanoacetate

2-amino-4-hydroxy-6-(p-tolyl)pyrimidine-5-carbonitrile

Conditions
ConditionsYield
Stage #1: 4-methyl-benzaldehyde; ethyl 2-cyanoacetate With NH2-SBA-15 mesoporous silica In ethanol for 0.166667h;
Stage #2: diguanidine carbonate In ethanol for 1.3h; Reflux;
98%
593-85-1

diguanidine carbonate

555-16-8

4-nitrobenzaldehdye

105-56-6

ethyl 2-cyanoacetate

2-amino-4-hydroxy-6-(4-nitrophenyl)pyrimidine-5-carbonitrile

Conditions
ConditionsYield
Stage #1: 4-nitrobenzaldehdye; ethyl 2-cyanoacetate With NH2-SBA-15 mesoporous silica In ethanol for 0.166667h;
Stage #2: diguanidine carbonate In ethanol for 1.3h; Reflux;
98%
937250-32-3

methyl 3-(3-bromobenzyl)-3-methyl-2-oxocyclohexanecarboxylate

593-85-1

diguanidine carbonate

937250-31-2

2-amino-8-(3-bromobenzyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-4(3H)-one

Conditions
ConditionsYield
In ethanol for 18h; Heating / reflux;97%
86119-84-8, 7664-38-2

phosphoric acid

593-85-1

diguanidine carbonate

zinc(II) oxide

2CN3H6(1+)*4Zn(2+)*5H(1+)*5PO4(3-)=(CN3H6)2*Zn4H5(PO4)5

Conditions
ConditionsYield
In water carbonate and H3PO4 mixing in PTFE bottle, ZnO addn., shaking, standing (room temp., 1 d), heating (100°C, 5 d); vac. filtration, washing (water); elem. anal.;97%

erbium(III) nitrate pentahydrate

593-85-1

diguanidine carbonate

144-62-7

oxalic acid

68-12-2, 33513-42-7

N,N-dimethyl-formamide

Er(3+)*2CHO2(1-)*C2O4(2-)*CH5N3*H(1+)

Conditions
ConditionsYield
With sodium carbonate In water at 100℃; for 72h;97%
593-85-1

diguanidine carbonate

83060-72-4

3-amino-5-phenylthiophene-2-carbonitrile

109879-88-1

2,4-diamino-6-phenylthieno<3,2-d>pyrimidine

Conditions
ConditionsYield
for 0.0833333h; heating above 200 deg C;96%
893420-46-7

(E)-1-(2-difluoromethyl-3-ethyl-3H-imidazol-4-yl)-3-dimethylamino-propenone

593-85-1

diguanidine carbonate

893420-47-8

4-(2-difluoromethyl-3-ethyl-3H-imidazol-4-yl)-pyrimidin-2-ylamine

Conditions
ConditionsYield
In monoethylene glycol diethyl ether at 137℃; for 48h;96%

(E)-1-(2-difluoromethyl-3-ethyl-3H-imidazol-4-yl)-3-dimethylamino-propenone

593-85-1

diguanidine carbonate

893420-47-8

4-(2-difluoromethyl-3-ethyl-3H-imidazol-4-yl)-pyrimidin-2-ylamine

Conditions
ConditionsYield
In monoethylene glycol diethyl ether at 137℃; for 48h;96%
3612-20-2

1-phenylmethyl-4-piperidone

593-85-1

diguanidine carbonate

105-34-0

methyl 2-cyanoacetate

945302-66-9

2-amino-9-benzyl-5-cyano-1,3,9-triazaspiro[5,5]undeca-2-en-4-one

Conditions
ConditionsYield
Stage #1: diguanidine carbonate In methanol for 0.25h; Heating;
Stage #2: 1-phenylmethyl-4-piperidone; methyl 2-cyanoacetate In methanol for 0.833333h; Knoevenagel condensation; Heating; Further stages.;
96%
39742-60-4

1-(2-phenylethyl)-4-piperidinone

593-85-1

diguanidine carbonate

105-56-6

ethyl 2-cyanoacetate

17503-90-1

2-amino-9-(2-phenylethyl)-5-cyano-1,3,9-triazaspiro[5,5]undeca-2-en-4-one

Conditions
ConditionsYield
Stage #1: diguanidine carbonate In methanol for 0.25h; Heating;
Stage #2: 1-(2-phenylethyl)-4-piperidinone; ethyl 2-cyanoacetate In methanol for 0.333333h; Knoevenagel condensation; Heating; Further stages.;
96%
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    High purity Guanidine carbonate CAS:593-85-1

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    Factory price Guanidine Carbonate 99%min CAS No.: 593-85-1 Molecular formula: C2H10N6H2CO3 Molecular weight: 180.2 Characteristics: White crystalline powder. It can decompose at 190ºC, dissolve in water, slightly in ethanol. It i

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Chemistry

IUPAC Name: Carbonic acid; guanidine
Synonyms of Guanidine carbonate (CAS NO.593-85-1): Bisguanidinium carbonate ; Diguanidinium carbonate ; Guanidine carbonate (2:1) ; Carbonic acid, compd. with guanidine (1:2)
CAS NO: 593-85-1
Molecular Formula: C3H12N6O3
Molecular Weight: 180.17
Molecular Structure:
EINECS: 209-813-7
H bond acceptors: 3
H bond donors: 5
Freely Rotating Bonds: 0
Polar Surface Area: 18.84 ?2
Flash Point: 34.2 °C
Enthalpy of Vaporization: 37.04 kJ/mol
Boiling Point: 132.9 °C at 760 mmHg
Vapour Pressure: 8.67 mmHg at 25°C
Melting point: 267-270°C (dec.)
Water solubility: 450 g/L (20°C)
Appearance: white to almost white crystalline powder
Product Categories of Guanidine carbonate (CAS NO.593-85-1): Pharmaceutical Intermediates;Guanidines;Nitrogen Compounds;Organic Building Blocks
SMILES: O=C(O)O.[N@H]=C(N)N.[N@H]=C(N)N Copy
InChI: InChI=1/2CH5N3.CH2O3/c3*2-1(3)4/h2*(H5,2,3,4);(H2,2,3,4) Copy
InChIKey: STIAPHVBRDNOAJ-UHFFFAOYAU
Std. InChI: InChI=1S/2CH5N3.CH2O3/c3*2-1(3)4/h2*(H5,2,3,4);(H2,2,3,4) Copy
Std. InChIKey: STIAPHVBRDNOAJ-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 350mg/kg (350mg/kg)   Cesko-Slovenska Farmacie. Vol. 1, Pg. 434, 1952.
mouse LDLo unreported 500mg/kg (500mg/kg)   Annals of Tropical Medicine and Parasitology. Vol. 32, Pg. 177, 1938.
rabbit LDLo subcutaneous 500mg/kg (500mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1352, 1935.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes:   Xn
The Risk Statements: 36/37/38-20/21/22
20/21/22: Harmful by inhalation, in contact with skin and if swallowed 
36/37/38: Irritating to eyes, respiratory system and skin 
The Safety Statements: 26-36-22
22: Do not breathe dust 
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36: Wear suitable protective clothing 
WGK Germany: 3
Poison by ingestion. Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx.

Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. 
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store Guanidine carbonate (CAS NO.593-85-1) in a cool, dry place. Keep container closed when not in use.