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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: 90.0833
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: N/A
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
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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.