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| CAS No.: | 563-41-7 |
|---|---|
| Name: | Semicarbazide hydrochloride |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | CH5N3O.HCl |
| Molecular Weight: | 111.531 |
| Synonyms: | Hydrazinecarboxamide,monohydrochloride (9CI);Semicarbazide, monohydrochloride (8CI);Aminoureahydrochloride;Hydrazinecarboxamide, hydrochloride;Semicarbazide chloride; |
| EINECS: | 209-247-0 |
| Density: | 1.286g/cm3 |
| Melting Point: | 175-177 °C (dec.)(lit.) |
| Boiling Point: | 235.3 °C at 760 mmHg |
| Flash Point: | 96.1 °C |
| Solubility: | 100 g/L (15 °C) in water |
| Appearance: | White solid |
| Hazard Symbols: |
 Xn,  T
|
| Risk Codes: | 22-40-36/38-25-45-23/24/25 |
| Safety: | 24/25-22-45-53 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 81.14000 |
| LogP: | 1.12190 |
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| Conditions | Yield |
|---|---|
| With hydrogenchloride; water |
- 7647-01-0
hydrogenchloride
- 39130-96-6
thiazolidine-2,4-dione-2-semicarbazone
A
- 2295-31-0
2,4-thiazolidinedion
B
- 563-41-7
semicarbazide hydrochloride
- 7647-01-0
hydrogenchloride
- 10153-17-0
2-carbamothioyl-N-phenylhydrazine carboxamide
A
- 603-54-3
N,N-diphenylurea
B
- 563-41-7
semicarbazide hydrochloride
| Conditions | Yield |
|---|---|
| With water; sodium carbonate at 50 - 60℃; in mehreren Stufen; |
- 745076-15-7
C17H17N3O2S
A
- 10424-68-7
1,1'-(sulfonylbis(4,1-phenylene))bis(ethan-1-one)
B
- 563-41-7
semicarbazide hydrochloride
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; acetic acid at 20℃; for 168h; |
- 745076-14-6
C18H20N6O2S
A
- 10424-68-7
1,1'-(sulfonylbis(4,1-phenylene))bis(ethan-1-one)
B
- 563-41-7
semicarbazide hydrochloride
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; acetic acid at 20℃; for 168h; |
- 745076-16-8
C18H20N6OS2
A
- 10424-68-7
1,1'-(sulfonylbis(4,1-phenylene))bis(ethan-1-one)
B
- 563-41-7
semicarbazide hydrochloride
C
- 79-19-6
thiosemicarbazide
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; acetic acid at 20℃; for 168h; |
- 38132-39-7
methyl benzoylformate semicarbazone
A
- 15206-55-0
methyl 2-oxo-2-phenylacetate
B
- 563-41-7
semicarbazide hydrochloride
| Conditions | Yield |
|---|---|
| In water at 30℃; pH=5.00; Equilibrium constant; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium carbonate; acetone In water byproducts: hydrazodicarbonamide; addn. of aq. KOCN to warm (50-60°C) aq. soln. of hydrazine sulfate and Na2CO3; mixt. allowed to stand for 1 d; filtration of hydrazodicarbonamide; addn. of acetone; acetone semicarbazone extd. with ethanol and heated with concd. HCl; | |
| With Na2CO3; benzaldehyde; HCl In water addn. of aq. KOCN to a warm (50-60°C) aq. soln. of hydrazine sulfate and Na2CO3; allow to stand for 1 d; addn. of benzaldehyde; benzaldehyde semicarbazone heated with concd. HCl; extn. of free benzaldehyde with benzene or toluene; | |
| With Na2CO3; acetone; HCl In water | |
| With Na2CO3; benzaldehyde; HCl In water |
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Consensus Reports
Specification
The IUPAC name of Semicarbazide hydrochloride is aminourea hydrochloride. With the CAS registry number 563-41-7, it is also named as Carbamylhydrazine hydrochloride. The product's categories are bases & related reagents; inhibitors; nucleotides. It is white solid which is soluble in water, soluble in ethanol and ether. In addition, this chemical should be sealed in the container and placed in the cool and dry aera.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -2.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.75; (4)ACD/LogD (pH 7.4): -2.75; (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: 5; (11)#Freely Rotating Bonds: 1; (12)Flash Point: 96.1 °C; (13)Enthalpy of Vaporization: 48.17 kJ/mol; (14)Boiling Point: 235.3 °C at 760 mmHg; (15)Vapour Pressure: 0.0407 mmHg at 25°C; (16)Tautomer Count: 3; (17)Exact Mass: 111.01994; (18)Topological Polar Surface Area: 81.1; (19)Heavy Atom Count: 6; (20)Complexity: 42.2.
Preparation of Semicarbazide hydrochloride: The condensation of hydrazine hydrate and urea to get semicarbazide solution which is acidified by hydrochloric acid. Then we can get the product after cold crystallization by water.
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Uses of Semicarbazide hydrochloride: It is used as intermediate of medicine and pesticide, such as used in the production of nitrofurazone, nitrofurantoin drugs. And it is also used as analytical reagent and chromatography reagent. Additionlly, it can react with 3-methyl-butan-2-one to obtain 3-methyl-butan-2-one semicarbazone. This reaction needs reagent potassium acetate and water.
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When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed, so people should not breathe dust. And it is also irritating to eyes and skin, so people must avoid contact with skin and eyes. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Avoid exposure - obtain special instructions before use.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C(N)NN
2. InChI:InChI=1/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 145mg/kg (145mg/kg) | Farmakologiya i Toksikologiya Vol. 24, Pg. 623, 1961. | |
| mouse | LD50 | oral | 225mg/kg (225mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 686, 1960. | |
| mouse | LD50 | subcutaneous | 167mg/kg (167mg/kg) | Acta Biologica et Medica Germanica. Vol. 21, Pg. 635, 1968. | |
| rabbit | LDLo | oral | 400mg/kg (400mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: EXCITEMENT | Farmakologiya i Toksikologiya Vol. 24, Pg. 623, 1961. |
| rat | LD | intraperitoneal | > 98mg/kg (98mg/kg) | VASCULAR: STRICTIRA; CJAMGES OM VESSE;S | Toxicology and Applied Pharmacology. Vol. 155, Pg. 237, 1999. |
| rat | LDLo | oral | 10mg/kg (10mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 44, 1953. |