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Basic Information
| CAS No.: | 2382-96-9 |
|---|---|
| Name: | 2-Mercaptobenzoxazole |
| Article Data: | 91 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5NOS |
| Molecular Weight: | 151.189 |
| Synonyms: | 2-Benzoxazolethiol(6CI,8CI);2-Benzoxazolinethione (7CI);1,3-Benzoxazole-2(3H)-thione;1,3-Benzoxazole-2-thiol;1,3-Benzoxazoline-2-thione;2,3-Dihydrobenzoxazole-2-thione;2-Benzoxazolethione;2-Benzoxazolylthiol;2-Mercapto-1,3-benzoxazole;2(3H)-Benzoxazolethione;Benzoxazole, 2-mercapto-;Benzoxazolinethione;MBO;NSC 209084;NSC 2128; |
| EINECS: | 219-191-9 |
| Density: | 1.41 g/cm3 |
| Melting Point: | 192-195 °C(lit.) |
| Boiling Point: | 247.3 °C at 760 mmHg |
| Flash Point: | 103.4 °C |
| Solubility: | slightly soluble in water |
| Appearance: | beige crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-25-24-36-26 |
| PSA: | 64.83000 |
| LogP: | 2.11650 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With 1.3-propanedithiol; potassium hydroxide In dimethyl sulfoxide at 130℃; for 12h; Inert atmosphere; Sealed tube; | 92.6% |
| With 1.3-propanedithiol; dimethyl sulfoxide; potassium hydroxide at 130℃; for 12h; Inert atmosphere; | 73% |
| With sulfur; 1,10-Phenanthroline; copper dichloride; sodium t-butanolate In N,N-dimethyl-formamide at 25℃; for 12h; Schlenk technique; Inert atmosphere; | 67% |
Conditions
| Conditions | Yield |
|---|---|
| In water at 80℃; Green chemistry; | 92% |
| Stage #1: 2-amino-phenol With potassium carbonate In N,N-dimethyl-formamide for 0.0833333h; Stage #2: Thiram In N,N-dimethyl-formamide at 120℃; for 12h; Reagent/catalyst; Solvent; Temperature; | 80% |
| In ethanol at 100℃; for 12h; | 26% |
| In water at 80℃; for 3h; | |
| In water at 80℃; |
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: potassium ethyl xanthogenate; 2-amino-phenol In glycerol at 155℃; for 0.116667h; Microwave irradiation; Stage #2: With acetic acid In ethanol; water; glycerol pH=3 - 4; | 91% |
| Stage #1: potassium ethyl xanthogenate; 2-amino-phenol In ethanol Reflux; Stage #2: With acetic acid In water pH=5; | 52% |
| In ethanol Heating; | |
| In ethanol; water Heating; | |
| In ethanol |
Conditions
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide for 0.05h; Temperature; Time; Microwave irradiation; | 90% |
Conditions
| Conditions | Yield |
|---|---|
| With sodium thiosulfate In ethanol; water Heating; Title compound not separated from byproducts; | A n/a B 86% |
Conditions
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In water; N,N-dimethyl-formamide at 120℃; for 0.333333h; Temperature; Time; | 83% |
Conditions
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol; water at 80℃; for 3h; | 81% |
| With potassium hydroxide In ethanol; water for 3h; Heating; | 78.2% |
| With potassium hydroxide In ethanol for 10h; Reflux; | 77% |
- 36993-70-1
bis(2-benzoxazolyl) disulfide
- 2382-96-9
2-sulfanyl-1,3-benzoxazole
Conditions
| Conditions | Yield |
|---|---|
| With sodium citrate; titanium(III) chloride In ethanol; water; acetic acid pH 4.5 to 6.O; | 76% |
- 36993-70-1
bis(2-benzoxazolyl) disulfide
A
- 2382-96-9
2-sulfanyl-1,3-benzoxazole
Conditions
| Conditions | Yield |
|---|---|
| With triphenylphosphine In tetrahydrofuran for 1h; Ambient temperature; | A n/a B 74% |
...Expand
- 36993-70-1
bis(2-benzoxazolyl) disulfide
A
- 2382-96-9
2-sulfanyl-1,3-benzoxazole
B
- 200635-82-1
2-(Benzooxazol-2-ylsulfanylmethyl)-2-benzyl-3-phenyl-propan-1-ol
Conditions
| Conditions | Yield |
|---|---|
| With triphenylphosphine In tetrahydrofuran rt., 1 h then reflux, 12 h; | A n/a B 72% |
...Expand
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2-Mercaptobenzoxazole
Chemistry
IUPAC Name: 3H-1,3-benzoxazole-2-thione
The MF of 2-MERCAPTOBENZOXAZOLE(2382-96-9): C7H5NOS
The MW of 2-MERCAPTOBENZOXAZOLE(2382-96-9): 151.19
EINECS: 219-191-9
mp: 192-195 °C(lit.)
Flash Point: 103.4 °C
Boiling Point: 247.3 °C at 760 mmHg
Water Solubility: SLIGHTLY SOLUBLE
Appearance: Solid. With a stench.
Index of Refraction: 1.714
Categories: Isoxazoles, Oxadiazoles, Oxazoles;Oxazole&Isoxazole
Synonyms: 1,3-Benzoxazole-2(3H)-thione;2(3H)-Benzoxazolethione;2-benzoxazolethione;2-Benzoxazolinethione;2-benzoxazolylthiol;2-Mercapto-1,3-benzoxazole;Benzoxazole, 2-mercapto-;Benzoxazolinethione
The Structure of 2-MERCAPTOBENZOXAZOLE(2382-96-9):
The MF of 2-MERCAPTOBENZOXAZOLE(2382-96-9): C7H5NOS
The MW of 2-MERCAPTOBENZOXAZOLE(2382-96-9): 151.19
EINECS: 219-191-9
mp: 192-195 °C(lit.)
Flash Point: 103.4 °C
Boiling Point: 247.3 °C at 760 mmHg
Water Solubility: SLIGHTLY SOLUBLE
Appearance: Solid. With a stench.
Index of Refraction: 1.714
Categories: Isoxazoles, Oxadiazoles, Oxazoles;Oxazole&Isoxazole
Synonyms: 1,3-Benzoxazole-2(3H)-thione;2(3H)-Benzoxazolethione;2-benzoxazolethione;2-Benzoxazolinethione;2-benzoxazolylthiol;2-Mercapto-1,3-benzoxazole;Benzoxazole, 2-mercapto-;Benzoxazolinethione
The Structure of 2-MERCAPTOBENZOXAZOLE(2382-96-9):
Uses
2-MERCAPTOBENZOXAZOLE(2382-96-9) is used in the synthesis of dye, medicine and organic compounds.
Toxicity Data With Reference
| 1. | ivn-mus LD50:180 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04482 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intravenous route. When heated to decomposition it emits toxic vapors of SOx and NOx.
Hazard Codes:
Xi
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-24/25-25-24-36-26
22: Do not breathe dust
24/25: Avoid contact with skin and eyes
25: Avoid contact with eyes
24: Avoid contact with skin
36: Wear suitable protective clothing
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
RTECS: DM4882500
F: 13: Malodorous.
HS Code: 29349990
Hazard Codes:
Xi Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-24/25-25-24-36-26
22: Do not breathe dust
24/25: Avoid contact with skin and eyes
25: Avoid contact with eyes
24: Avoid contact with skin
36: Wear suitable protective clothing
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
RTECS: DM4882500
F: 13: Malodorous.
HS Code: 29349990
Specification
1. First Aid Measures
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Eyes:
If symptoms develop, immediately move individual away from exposure and into fresh air. Flush eyes gently with water for at least 15 minutes while holding eyelids apart; seek immediate medical attention.
2. Handling and Storage
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Eyes:
If symptoms develop, immediately move individual away from exposure and into fresh air. Flush eyes gently with water for at least 15 minutes while holding eyelids apart; seek immediate medical attention.
2. Handling and Storage
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.