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2-MERCAPTOBENZOXAZOLE
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Name

2-MERCAPTOBENZOXAZOLE

 EINECS 219-191-9
CAS No. 2382-96-9 Density 1.41 g/cm3
PSA 64.83000 LogP 2.11650
Solubility slightly soluble in water Melting Point 192-195 °C(lit.)
Formula C7H5NOS Boiling Point 247.3 °C at 760 mmHg
Molecular Weight 151.189 Flash Point 103.4 °C
Transport Information N/A Appearance beige crystalline powder
Safety 22-24/25-25-24-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2382-96-9 (2-Mercaptobenzoxazole) Hazard Symbols IrritantXi
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;

Article Data 91

2-MERCAPTOBENZOXAZOLE Synthetic route

273-53-0

benzoxazole

2382-96-9

2-sulfanyl-1,3-benzoxazole

Conditions
ConditionsYield
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%
137-26-8

Thiram

95-55-6

2-amino-phenol

2382-96-9

2-sulfanyl-1,3-benzoxazole

Conditions
ConditionsYield
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℃;
140-89-6

potassium ethyl xanthogenate

95-55-6

2-amino-phenol

2382-96-9

2-sulfanyl-1,3-benzoxazole

Conditions
ConditionsYield
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
140-92-1

potassium isopropylxanthate

95-55-6

2-amino-phenol

2382-96-9

2-sulfanyl-1,3-benzoxazole

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 0.05h; Temperature; Time; Microwave irradiation;90%
615-18-9

2-chloro-1,3-benzoxazole

A

59-49-4

2-hydroxybenzoxazole

B

2382-96-9

2-sulfanyl-1,3-benzoxazole

Conditions
ConditionsYield
With sodium thiosulfate In ethanol; water Heating; Title compound not separated from byproducts;A n/a
B 86%
95-55-6

2-amino-phenol

128-04-1

sodium dimethyldithiocarbamate

2382-96-9

2-sulfanyl-1,3-benzoxazole

Conditions
ConditionsYield
With aluminum (III) chloride In water; N,N-dimethyl-formamide at 120℃; for 0.333333h; Temperature; Time;83%
75-15-0

carbon disulfide

95-55-6

2-amino-phenol

2382-96-9

2-sulfanyl-1,3-benzoxazole

Conditions
ConditionsYield
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
ConditionsYield
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

(1'(R,S),3'-dihydroxy-2'(S,R)-ethylpropyl)benzene

A

2382-96-9

2-sulfanyl-1,3-benzoxazole

B

2-(Benzooxazol-2-ylsulfanylmethyl)-1-phenyl-butan-1-ol

Conditions
ConditionsYield
With triphenylphosphine In tetrahydrofuran for 1h; Ambient temperature;A n/a
B 74%
36993-70-1

bis(2-benzoxazolyl) disulfide

2,2-Dibenzyl-butane-1,3-diol

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
ConditionsYield
With triphenylphosphine In tetrahydrofuran rt., 1 h then reflux, 12 h;A n/a
B 72%

2-MERCAPTOBENZOXAZOLE Chemical Properties

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):

2-MERCAPTOBENZOXAZOLE Uses

2-MERCAPTOBENZOXAZOLE(2382-96-9) is used in the synthesis of dye, medicine and organic compounds.

2-MERCAPTOBENZOXAZOLE 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 .

2-MERCAPTOBENZOXAZOLE Consensus Reports

Reported in EPA TSCA Inventory.

2-MERCAPTOBENZOXAZOLE 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

2-MERCAPTOBENZOXAZOLE 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.
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