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Hydroxylamine,O-ethyl-, hydrochloride (1:1)(CAS No. 3332-29-4)

Hydroxylamine,O-ethyl-, hydrochloride (1:1) C2H7NO.ClH (cas 3332-29-4) Molecular Structure

3332-29-4 Structure

Identification and Related Records

【Name】
Hydroxylamine,O-ethyl-, hydrochloride (1:1)
【CAS Registry number】
3332-29-4
【Synonyms】
Ethoxyamine,hydrochloride (6CI,7CI)
Hydroxylamine, O-ethyl-, hydrochloride (8CI,9CI)
(Aminooxy)ethane hydrochloride
Ethoxamine hydrochloride
Ethoxyammoniumchloride
N-Ethoxyamine hydrochloride
O-Ethylhydroxylamine hydrochloride
【EINECS(EC#)】
222-060-9
【Molecular Formula】
C2H7 NO.ClH (Products with the same molecular formula)
【Molecular Weight】
97.54
【Inchi】
InChI=1/C2H7NO.ClH/c1-2-4-3;/h2-3H2,1H3;1H
【Canonical SMILES】
CCON.Cl
【MOL File】
3332-29-4.mol

Chemical and Physical Properties

【Appearance】
White or light yellow crystal
【Density】
g/cm3
【Melting Point】
130-133℃
【Boiling Point】
75.8 °C at 760 mmHg
【Flash Point】
5.9 °C
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
【Computed Properties】
Molecular Weight:97.54402 [g/mol]
Molecular Formula:C2H8ClNO
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:97.029442
MonoIsotopic Mass:97.029442
Topological Polar Surface Area:35.2
Heavy Atom Count:5
Formal Charge:0
Complexity:10
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36
【Specification】

The Ethoxyamine Hydrochloride, with the CAS registry number 3332-29-4, has the IUPAC name of O-ethylhydroxylamine hydrochloride. For being a kind of white or light yellow crystal, it is soluble in water and ethanol, with the product categories including pharmaceutical intermediates.
 
The physical properties of this chemical are as follows: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.64; (8)ACD/KOC (pH 7.4): 34.62; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47; (13)Flash Point: 5.9 °C; (14)Enthalpy of Vaporization: 31.69 kJ/mol; (15)Boiling Point: 75.8 °C at 760 mmHg; (16)Vapour Pressure: 104 mmHg at 25°C; (17)Exact Mass: 97.029442; (18)MonoIsotopic Mass: 97.029442; (19)Topological Polar Surface Area: 35.2; (20)Heavy Atom Count: 5; (21)Complexity: 10.

The production method of this chemical: ethyl acetate could react with hydroxylamine sulphate in presence of alkali to have one chemical; Next the chemical has the ethylation with ethyl sulfate and then react in muriatic acid to get this product.

As to its usage, it is widely applied in many ways. It could be used as the intermediates of cycloxydim; It could also be producing a variety of herbicide, and then as a kind of important pesticide.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: CCON.Cl
(2)InChI: InChI=1S/C2H7NO.ClH/c1-2-4-3;/h2-3H2,1H3;1H
(3)InChIKey: NUXCOKIYARRTDC-UHFFFAOYSA-N 

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