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CAS No.: | 5329-33-9 |
---|---|
Name: | O-Methylisourea hydrochloride |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C2H6N2O.HCl |
Molecular Weight: | 110.543 |
Synonyms: | Carbamimidicacid, methyl ester, monohydrochloride (9CI);Pseudourea, 2-methyl-,hydrochloride (7CI);Pseudourea, 2-methyl-, monohydrochloride (8CI);2-Methylpseudourea hydrochloride;O-Methylisourea hydrochloride;O-Methyluronium chloride; |
Density: | 1.17g/cm3 |
Melting Point: | 116-119°C (dec.) |
Boiling Point: | 66.9 °C at 760 mmHg |
Flash Point: | 28.4 °C |
Solubility: | Soluble in organic solvents, water, methanol and ethanol. |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 59.10000 |
LogP: | 1.12830 |
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The O-Methylisourea hydrochloride, with CAS registry number 5329-33-9, has the systematic name of methyl imidocarbamate hydrochloride. Besides this, it is also called Pseudourea, 2-methyl-, monohydrochloride. And its related registry number is 2440-60-0 (Parent). What's more, you should Ensure good ventilation at the workplace.
Physical properties of O-Methylisourea hydrochloride: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.84; (4)ACD/LogD (pH 7.4): -2.69; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 24.83 Å2; (13)Enthalpy of Vaporization: 30.88 kJ/mol; (14)Vapour Pressure: 148 mmHg at 25°C.
Preparation: this chemical can be prepared by cyanamide and methanol. This reaction will need reagent hydrogen chloride.
Uses of O-Methylisourea hydrochloride: it can be used to produce 1-chloro-2-methyl-isourea. This reaction will need reagent NaOCl and solvent H2O. The temperature of this chemical is 10 ℃. The yield is about 69%.
When you are using this chemical, please be cautious about it as the following:
The O-Methylisourea hydrochloride irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.[N@H]=C(OC)N
(2)InChI: InChI=1/C2H6N2O.ClH/c1-5-2(3)4;/h1H3,(H3,3,4);1H
(3)InChIKey: MUDVUWOLBJRUGF-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C2H6N2O.ClH/c1-5-2(3)4;/h1H3,(H3,3,4);1H
(5)Std. InChIKey: MUDVUWOLBJRUGF-UHFFFAOYSA-N