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Guanidiniumchlorid

Guanidine Hydrochloride

HCID 5742
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Grundinformationen

CAS
50-01-1
Standard-SMILES
Cl.N=C(N)N
InChIKey
PJJJBBJSCAKJQF-UHFFFAOYSA-N
Summenformel
CH5N3.ClH
Durchschnittliche Molmasse
95,53 g/mol
Monoisotopische Masse
95,02502487

Überblick

Guanidine Hydrochloride is the hydrochloride salt form of guanidine, a strong basic compound with parasympathomimetic activity. Guanidine hydrochloride enhances the release of acetylcholine following a nerve impulse and potentiates acetylcholine actions on muscarinic and nicotinic receptors. It also appears to slow the rates of depolarization and repolarization of muscle cell membranes. (NCI05)

Namen und Bezeichner

Bevorzugter Name
Guanidine Hydrochloride
IUPAC
guanidine;hydrochloride
Lokaler Name
Guanidiniumchlorid
Englischer Name
Guanidine hydrochloride
Summenformel
CH5N3.ClH
Molmasse
95.53

Namen und Synonyme

Guanidine hydrochloride50-01-1Guanidinium chlorideguanidine HClAminoformamidine hydrochlorideGUANIDINE MONOHYDROCHLORIDECarbamidine hydrochlorideAminomethanamidine hydrochlorideIminourea hydrochloride3YQC9ZY4YBNSC-755884DTXSID7058757
Weitere Namen anzeigen
GAClGdmClAMINOFORMAMIDINE HCLguanidiniumhydrochlorideGUANIDINE HYDROCHLORIDE 99%guanidine,monohydrochlorideGuanidine, hydrochloride (1:1)
Chloride, GuanidiniumGuanidium chlorideCHEBI:32735Chloride, GuanidiumHydrochloride, GuanidineRefChem:58639Monohydrochloride, GuanidineDTXCID4040763

Datenbank-Bezeichner

CAS
50-01-1
PubChem CID
5742
DTXSID

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

Polarare Oberfläche (TPSA)
75,9 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
5
Formalladung
0
Komplexität
26,3

Experimentelle und physikochemische Eigenschaften

CosmeticsBuffering
LogP-1.7
Density1.3 g/cm³
SolubilitySolubility in water, g/100ml at 20 °C: 215
Human Drugs · 2 Einträge

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Melting Point · 2 Einträge

178-185 °C

183 °C

Physical Description · 2 Einträge

Large Crystals; Dry Powder; Liquid

HYGROSCOPIC CRYSTALLINE POWDER.

Physikochemische Eigenschaften

Schmelzpunkt
180 · 180-185 °C(lit.)
Dichte
1.18 g/mL · 1.18 g/mL at 25 °C(lit.)
Brechungsindex

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 9.2% (37 of 404) of reports.

Warning

H302 (90.8%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Guanidine, monohydrochloride

Guanidine, hydrochloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Guanidine, hydrochloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13899

Guanidinium chloride: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsCombustible.
EC ClassificationSymbol: Xn; R: 22-36/38; S: (2)-22
Chemical DangersOn combustion, forms toxic and corrosive fumes including hydrogen chloride and nitrogen oxides. The solution in water is a weak acid.
Hazard Classes and Categories · 4 Einträge

Acute Tox. 4 (90.8%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

Acute Tox. 4 *

Sicherheit und Schutzausrüstung

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesLaboratory chemicals
Industry UsesLaboratory chemicals
Use ClassificationCosmetics -> Buffering
General Manufacturing Information · 2 Einträge

Pharmaceutical and Medicine Manufacturing

Guanidine, hydrochloride (1:1): ACTIVE

Anwendungen · 1 Eintrag

VerwendenGuanidine hydrochloride is used for purification of proteins and nucleic acids. It can be used as a medicine, organic synthesis intermediate and is used in dyes. It acts as an intermediate in the preparation of sulfadiazine, which is an important raw material for sulfamethyldiazine, sulfamethazine and folic acid. It is utilized in the synthesis of 2-amino-pyrimidine, 2- amino -6- methyl-pyrimidine and 2-amino -4,6 - dimethyl-pyrimidine. Also used in RNA isolation to dissociate nucleoproteins and inhibit RNase.

Darstellung · 1 Eintrag

synthetischeThe process for preparing guanidine hydrochloride is as follows:Step 1: Fritting - Combine dicyandiamide and ammonium chloride in a reactor with a 1:1.27 weight ratio and carry out a frit reaction at 170-230°C to obtain crude guanidine hydrochloride.Step 2: Dissolving - Dissolve the crude guanidine hydrochloride in water at a 1:1 ratio at normal temperature. Then, add ammonium salt alkaloid in an amount determined by the ammonium salt content in the crude guanidine hydrochloride.Step 3: Filtering - Remove raw materials and reaction by-products with filtration.Step 4: Dehydrating - Dehydrate the filtered ground mother liquor at a high temperature.Step 5: Crystallizing - Cool the supersaturated solution, concentrate, and crystallize to obtain high-purity guanidine hydrochloride.Step 6: Repeat steps 2-5 and add dicyandiamide in the reactor with the guanidine hydrochloride to carry out frit reaction at 170-230°C for 3-4 hours to obtain even higher purity guanidine hydrochloride. This step can be repeated several times if needed.Step 7: To obtain higher purity guanidine hydrochloride, subject the guanidine hydrochloride obtained in step 5 to steps 2-5 again, with the water ratio in step 2 adjusted to 1.5:1. This step can be repeated numerous times as required.

Zugehörige Reaktionen

510
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 3905
HRID 3905als Eduktuspto-grants-1988_02
Reaktionsgleichung von HRID 3906
HRID 3906als Eduktuspto-grants-1988_02
Reaktionsgleichung von HRID 4448
HRID 4448als Eduktuspto-grants-1988_02
Reaktionsgleichung von HRID 28565
HRID 28565als Eduktuspto-grants-2008_09
Reaktionsgleichung von HRID 34462
HRID 34462als Eduktuspto-grants-1988_08
Reaktionsgleichung von HRID 34467
HRID 34467als Eduktuspto-grants-1988_08
Reaktionsgleichung von HRID 38429
HRID 38429als Eduktuspto-grants-2013_09
Reaktionsgleichung von HRID 38430
HRID 38430als Eduktuspto-grants-2013_09
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DTXSID7058757
ChEMBL
CHEMBL1200728
UNII
3YQC9ZY4YB
EC Number
200-002-3
20 · n20/D 1.465
storage temp.
room temp
Löslichkeit
2 O: · H2O: 6 M, clear, colorless
Aggregatzustand
Crystals
pka
13.5 · 13.5(Temp: 27 °C; Solvent: Water)
Farbe
White to slightly yellow
PH
4.5 · 4.5-5.5 (100g/l, H2O, 20℃)
Geruch (Odor)
Odorless
Biologische Quelle
synthetic (organic)
Wasserlöslichkeit
2280 g/L · 2280 g/L (20 ºC)
Merck
14 · 14,4562
BRN
3591990 · 3591990
Stabilität
Stable. Hygroscopic. Incompatible with strong oxidizing agents.
Kosmetik-Inhaltsstoffe Funktionen
BUFFERING
InChI
1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H
InChIKey
PJJJBBJSCAKJQF-UHFFFAOYSA-N
SMILES
Cl[H].NC(N)=N
CAS Datenbank
50 · 50-01-1(CAS DataBase Reference)
EPA chemische Informationen
Guanidine monohydrochloride (50-01-1)
Absorption
0.1 at · ≤0.10 at 260nm in H2O at 6M
Fire FightingUse foam, powder.
First Aid Measures · 4 Einträge

Fresh air, rest.

Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Induce vomiting (ONLY IN CONSCIOUS PERSONS!).

Safe StorageWell closed. Dry.
Spillage DisposalSweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water. Personal protection: P2 filter respirator for harmful particles.
Eye PreventionWear safety goggles or eye protection in combination with breathing protection.
Fire PreventionNO open flames.
Inhalation RiskEvaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Short Term ExposureThe substance is irritating to the eyes and skin.

Toxikologische Informationen

Exposure RoutesThe substance can be absorbed into the body by ingestion.
Signs and Symptoms · 4 Einträge

Cough.

Redness.

Redness. Pain.

Diarrhoea.

Drug Induced Liver Injury · 6 Einträge

Drug Induced Liver Injury Rank (DILIrank 2.0)

Guanidine hydrochloride

Ambiguous-DILI-concern

3

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

RAIS Toxicity Values · 4 Einträge

0.02

PPRTV Current

0.02

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6 Einträge

Guanidine Chloride

2 x 10^-2 mg/kg-day

2 x 10^-2 mg/kg-day

PDF Document

Inadequate information to assess carcinogenic potential

2014

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 Einträge

1.30e+03

1.60e+04

4.00e+02

7.00e+02

2.00e-02

Volatile

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 Einträge

3.80e+03

4.90e+04

1.20e+03

7.00e+02

2.00e-02

Volatile

Sicherheitsdaten

F
3-10
wgk
1
tsca
TSCA listed
hs_code
29252000
RTECS-Nr.
MF4300000
risk_code
22-36/38
Toxizität
LD50 orally in Rabbit: 655.3 - 907.1 mg/kg LD50 dermal Rabbit > 2000 mg/kg
hazard_code
Xn,Xi
safety_code
26-36-22
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Double cyanamideAmmoniumchlorid

Nachgelagerte Produkte

5-Nitropyrimidin-2-amin2,5-Diamino-4,6-dichloropyrimidineDiguanidiniumcarbonat5-Amino-2-fluoropyrimidineshark soft bone preparation4-Chlor-6-methylpyrimidin-2-ylamin2-Amino-pyrimidine-5-carboxylic acid ethyl ester2-Amino-6-hydroxypyrimidin-4(3H)-one ,97%1,3,5-Triazin-2,4-diamin5-Amino-2-chloropyrimidine2-Amino-5-pyrimidinecarboxyaldehydeN-Amidino-3,5-diamino-6-chlorpyrazincarboxamidmonohydrochlorid9-EthylguaninePyrimidin-2-ylamin7-(Trifluoromethyl)-3-iodoimidazo[1,2-a]pyrimidine2,5,6-Triaminopyrimidin-4-olFormamidine hydrochloride3-Bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine2-amino-6-chloropyrimidin-4(3H)-one2-Chlor-5-nitropyrimidin2-Amino-6-methylpyrimidin-4-olBis(2-amino-1,7-dihydro-6H-purin-6-on)sulfatGuanidiniumphosphat2-Amino-6-hydroxy-pyrimidine-4-carboxylic acidPyrimidin-2,4-diyldiamin2-Aminopyrimidine-5-carboxylic acid2-Aminopteridin-4,7-diol
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: Guanidine Hydrochloride is an aminocarboxamidine, the parent compound of the guanidines. It is a strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism.