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| CAS No.: | 59-49-4 |
|---|---|
| Name: | 2-Benzoxazolinone |
| Article Data: | 208 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5NO2 |
| Molecular Weight: | 135.122 |
| Synonyms: | 2-Benzoxazolinone(6CI,7CI,8CI);1,3-Benzoxazol-2(3H)-one;2(3H)-Benzoxazolinone;2-Benzoxazolol;2-Hydroxybenzoxazole;2-Oxo-2,3-dihydrobenzoxazole;Benzo[d]oxazol-2(3H)-one;Carbamic acid, (2-hydroxyphenyl)-, g-lactone;NSC 3812; |
| EINECS: | 200-430-0 |
| Density: | 1.323 g/cm3 |
| Melting Point: | 137-139 °C(lit.) |
| Boiling Point: | 299 °C at 760 mmHg |
| Flash Point: | 134.6 °C |
| Solubility: | soluble in hot water |
| Appearance: | light beige to brown-grey powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-22-24/25-36/37/38 |
| Safety: | 36-24/25-26 |
| PSA: | 46.00000 |
| LogP: | 1.12110 |
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ethyl 2-ureidophenylcarbonate
- 59-49-4
2-Benzoxazolinone
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol for 1h; | 100% |
| Conditions | Yield |
|---|---|
| With [bis(acetoxy)iodo]benzene; ammonia In methanol at 0 - 20℃; for 2h; Hofmann Rearrangement; Inert atmosphere; | 99% |
| With iodosylbenzene In dichloromethane at 20℃; for 2h; Hofmann rearrangement; | 86% |
| With potassium hydroxide; [bis(acetoxy)iodo]benzene In methanol at 0℃; for 1h; | 80% |
| With sodium hydroxide; sodium hypochlorite |
A
- 59-49-4
2-Benzoxazolinone
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium hydride In tetrahydrofuran for 24h; Ambient temperature; | A 99% B 70% |
A
- 59-49-4
2-Benzoxazolinone
| Conditions | Yield |
|---|---|
| With potassium hydride In tetrahydrofuran Ambient temperature; | A 99% B 78% |
| Conditions | Yield |
|---|---|
| at 120℃; for 0.8h; Temperature; | 98.5% |
| In 1,2-dichloro-benzene at 180℃; for 2h; | 98% |
| With sulfuric acid at 110℃; for 3h; Temperature; | 97.8% |
A
- 59-49-4
2-Benzoxazolinone
| Conditions | Yield |
|---|---|
| With potassium hydride In tetrahydrofuran for 3h; | A 98% B 72% |
| Conditions | Yield |
|---|---|
| With oxygen; potassium iodide; palladium(II) iodide at 100℃; under 15001.5 Torr; for 24h; Autoclave; | 98% |
| With oxygen; potassium iodide; palladium(II) iodide In 1,2-dimethoxyethane at 100℃; under 15201 Torr; for 15h; | 89% |
| With oxygen; palladium diacetate; tetra-(n-butyl)ammonium iodide In acetonitrile at 120℃; under 15001.5 Torr; Reagent/catalyst; Temperature; Pressure; Flow reactor; | 73% |
- 59167-82-7
3-ethylaminocarbonyl-2(3H)-benzoxazolone
- 59-49-4
2-Benzoxazolinone
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 0.25h; | 98% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran for 4h; Heating; | 97% |
| In N,N-dimethyl-formamide at 80℃; for 5h; Inert atmosphere; | 89% |
| In N,N-dimethyl-formamide at 80℃; for 5h; Inert atmosphere; | 89% |
- 347370-91-6
(1H-benzo[d][1,2,3]triazol-1-yl)(2-hydroxyphenyl)methanone
- 59-49-4
2-Benzoxazolinone
| Conditions | Yield |
|---|---|
| With sodium azide In tetrahydrofuran; water at 100℃; for 4h; | 97% |
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Chemistry
The Molecular formula of 2-BENZOXAZOLINONE(59-49-4): C7H5NO2
The Molecular Weight of 2-BENZOXAZOLINONE(59-49-4): 135.12
Molecular Structure: 
EINECS: 200-430-0
Melting point: 137-139 °C(lit.)
Boiling Point: 299 °C at 760 mmHg
Flash Point: 134.6 °C
Index of Refraction: 1.586
Molar Refractivity: 34.28 cm3
Molar Volume: 102 cm3
Polarizability: 13.59 10-24 cm3
Surface Tension: 46.1 dyne/cm
Density: 1.323 g/cm3
Enthalpy of Vaporization: 56.05 kJ/mol
Vapour Pressure: 0.00069 mmHg at 25°C
Water Solubilit: soluble in hot water
BRN: 119481
IUPAC Name: 3H-1,3-benzoxazol-2-one
Synonyms: 3H-BENZOOXAZOL-2-ONE;2-HYDROXYBENZOXAZOLE;2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE;2-BENZOXAZOLINONE;2-BENZOXAZOLONE;2 (3H)-BENZOXAZOLONE;AKOS B029757;1,3-BENZOXAZOL-2(3H)-ONE;
Uses
2-BENZOXAZOLINONE(59-49-4) is used for the production of dyes and synthetic intermediates.
Toxicity Data With Reference
| 1. | orl-rat LD50:700 mg/kg | MDCHAG Medicinal Chemistry: A Series of Monographs. 4 (1)(1964),308. | ||
| 2. | orl-mus LD50:554 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 31 (8)(1987),36. | ||
| 3. | ipr-mus LD50:400 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . |
Consensus Reports
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
The Hazard Codes of 2-BENZOXAZOLINONE(59-49-4): 
Xn
Hazard Note: Harmful
The Risk Statements information of 2-BENZOXAZOLINONE(59-49-4):
22: Harmful if swallowed
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
24/25: Toxic in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of 2-BENZOXAZOLINONE(59-49-4):
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
24/25: Avoid contact with skin and eyes
WGK Germany: 3
RTECS: DM4905000
Specification
2-Benzoxazolinone is used in the study of the antioxidant activity of heterocyclic chalcones, screening of hydrazines as inhibitors of immune suppressive enzyme indoleamine dioxygenase 1, design and the development of the inhibitors of nitric oxide synthases.