ChemicalBook--->CAS DataBase List--->2382-96-9

2382-96-9

2382-96-9 Structure

2382-96-9 Structure
IdentificationMore
[Name]

2-Mercaptobenzoxazole
[CAS]

2382-96-9
[Synonyms]

1,3-BENZOXAZOLE-2-THIOL
2-BENZOXAZOLETHIOL
2-MERCAPTOBENZOXAZOLE
BENZO[D]OXAZOLE-2-THIOL
BENZOOXAZOLE-2-THIOL
BENZOXAZOLE-2-THIONE
1,3-Benzoxazole-2(3H)-thione
2(3H)-Benzoxazolethione
2-benzoxazolethione
2-Benzoxazolinethione
2-benzoxazolylthiol
2-Mercapto-1,3-benzoxazole
Benzoxazole, 2-mercapto-
Benzoxazolinethione
benzoxazole-2-thiol
2-Mercatobenzoxazole
2-MERCAPTOBENZOXAZOLE 95%
2-MERCAPTOBENZOXAZOLE, 98+%
2-Mercaptobenzoxazole,>97%
2,3-Dihydrobenzoxazole-2-thione
[EINECS(EC#)]

219-191-9
[Molecular Formula]

C7H5NOS
[MDL Number]

MFCD00005769
[Molecular Weight]

151.19
[MOL File]

2382-96-9.mol
Chemical PropertiesBack Directory
[Appearance]

beige crystalline powder
[Melting point ]

192-195 °C(lit.)
[Boiling point ]

360°C (rough estimate)
[density ]

1.2170 (rough estimate)
[refractive index ]

1.5500 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[pka]

11.03±0.20(Predicted)
[color ]

Beige
[PH]

5 (5g/l, H2O, 20℃)
[Water Solubility ]

SLIGHTLY SOLUBLE
[BRN ]

119483
[InChIKey]

FLFWJIBUZQARMD-UHFFFAOYSA-N
[CAS DataBase Reference]

2382-96-9(CAS DataBase Reference)
[NIST Chemistry Reference]

2(3H)-Benzoxazolethione(2382-96-9)
[EPA Substance Registry System]

2382-96-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S25:Avoid contact with eyes .
S24:Avoid contact with skin .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

DM4882500
[F ]

13
[TSCA ]

Yes
[HS Code ]

29349990
[Toxicity]

mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04482,
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Mercaptobenzoxazole(2382-96-9).msds
Hazard InformationBack Directory
[Chemical Properties]

beige crystalline powder
[Uses]

2-Mercaptobenzoxazole is used in the surface treatment of materials. It is utilized for protection of metals from corrosion.
[Application]

2-Mercaptobenzoxazole is a widely used organic scaffold in medicinal chemistry.
2-Mercaptobenzoxazole and their derivatives are known to posses several biological activities such as antibacterial, antifungal, antiinflammatory, insecticidal and herbicidal. 4-0xo-thiazolidines have also played an important activities as analgesic, anti-HIV, antitubercular, anthelmentic, dye-stuffs, fluorescent and as a photosensitizer. The incorporation of 4-oxothiazolidine and their 5-arylidene moieties in 2-mercaptobenzoxazole frame work has been found to enhance the activity.
[Definition]

ChEBI: 2-mercapto-1,3-benzoxazole is a benzoxazole.
[Preparation]

2-Mercaptobenzoxazole has already been described in 1876 by Dunner (Ber. 9, (1876) page 465). 2-Mercaptobenzoxazole and its derivatives are prepared by processes which are based in principle on the reaction between o-aminophenol and alkali metal alkylxanthates. The alkali metal alkylxanthate here can either be employed as such, or it can be produced in the reaction mixture itself from an alkali, a lower alkanol and carbon disulphide.
https://patents.google.com/patent/US4677209A/en
[Reactions]

2-Mercaptobenzoxazole with ethyl chloroacetate and anhydrous K2C03 in the presence of dry acetone was refluxed on water bath to give ethyl-2-(mercaptobenzoxazolo)acetate.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Mercaptobenzoxazole(2382-96-9)MS
2-Mercaptobenzoxazole(2382-96-9)1HNMR
2-Mercaptobenzoxazole(2382-96-9)13CNMR
2-Mercaptobenzoxazole(2382-96-9)IR1
2-Mercaptobenzoxazole(2382-96-9)IR2
2-Mercaptobenzoxazole(2382-96-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Mercaptobenzoxazole, 99%(2382-96-9)
[Alfa Aesar]

2-Mercaptobenzoxazole, 98+%(2382-96-9)
[Sigma Aldrich]

2382-96-9(sigmaaldrich)
[TCI AMERICA]

2-Mercaptobenzoxazole,>98.0%(GC)(T)(2382-96-9)
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