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| CAS No.: | 6092-80-4 |
|---|---|
| Name: | O-PHENYLHYDROXYLAMINE HYDROCHLORIDE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H7NO.ClH |
| Molecular Weight: | 145.589 |
| Synonyms: | Hydroxylamine,O-phenyl-, hydrochloride (9CI);Phenoxyamine, hydrochloride (7CI);O-Phenylhydroxyamine hydrochloride;O-Phenylhydroxylamine hydrochloride;(Aminooxy)benzene hydrochloride; |
| EINECS: | 228-039-0 |
| Melting Point: | ~132 °C (dec.) |
| Boiling Point: | 191.9 °C at 760 mmHg |
| Flash Point: | 82.5 °C |
| Hazard Symbols: |
 T;  F
|
| Risk Codes: | 11-25 |
| Safety: | 16-22-24/25-45 |
| Transport Information: | UN2811 6.1/PG 3 |
| PSA: | 35.25000 |
| LogP: | 2.44140 |
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Specification
The CAS registry number of Hydroxylamine,O-phenyl-, hydrochloride (1:1) is 6092-80-4. Its EINECS registry number is 228-039-0. The IUPAC name is O-phenylhydroxylamine hydrochloride. In addition, the molecular formula is C6H7NO.ClH and the molecular weight is 145.59. It should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.52; (2)ACD/LogD (pH 5.5): 1.52; (3)ACD/LogD (pH 7.4): 1.52; (4)ACD/BCF (pH 5.5): 8.47; (5)ACD/BCF (pH 7.4): 8.47; (6)ACD/KOC (pH 5.5): 160.57; (7)ACD/KOC (pH 7.4): 160.6; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47 Å2; (12)Flash Point: 82.5 °C; (13)Enthalpy of Vaporization: 42.81 kJ/mol; (14)Boiling Point: 191.9 °C at 760 mmHg; (15)Vapour Pressure: 0.504 mmHg at 25°C.
Preparation of Hydroxylamine,O-phenyl-, hydrochloride (1:1): it can be prepared by t-butyl N-phenoxycarbamate. This reaction will need reagent HCl and solvents nitromethane and diethyl ether. The reaction time is 1 hour at reaction temperature of 0 °C. The yield is about 80%.
Uses of Hydroxylamine,O-phenyl-, hydrochloride (1:1): it can react with 2-Phenylthio-benzoylchlorid to get O-phenyl-2-(phenylthio)benzohydroxamic acid. This reaction will need reagent pyridine. The reaction time is 30 minutes by heating. The yield is about 56%.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable and toxic if swallowed. During using it, you should avoid contact with skin and eyes. In addition, do not breathe dust. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). In addition, you should keep away from sources of ignition-No smoking.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(N)c1ccccc1
(2)InChI: InChI=1/C6H7NO.ClH/c7-8-6-4-2-1-3-5-6;/h1-5H,7H2;1H
(3)InChIKey: DBTXKJJSFWZJNS-UHFFFAOYAR