ChemicalBook--->CAS DataBase List--->5331-91-9

5331-91-9

5331-91-9 Structure

5331-91-9 Structure
IdentificationMore
[Name]

5-Chloro-2-mercaptobenzothiazole
[CAS]

5331-91-9
[Synonyms]

2-MERCAPTO-5-CHLOROBENZOXAZOLE
2-METCAPTO-5-CHLORO-BENZOTHIAZOLE
5-CHLORO-1,3-BENZOTHIAZOLE-2-THIOL
5-CHLORO-2-BENZOTHIAZOLETHIOL
5-CHLORO-2-MERCAPTOBENZOTHIAZOLE
5-CHLORO-BENZOTHIAZOLE-2-THIOL
TIMTEC-BB SBB005398
2-Benzothiazolethiol,5-chloro-
5-chloro-2(3h)-benzothiazolethion
5-chloro-2-benzothiazolethio
5-chloro-2-mercapto-benzothiazol
sh-benzothiazole
5-CHLORO-2-MERCAPTOBENZOTHIAZOLE TECH., 90+%
5-Choro-2-Mercapto Benzothiazole
5-Chloro-2-mercaptobenzothiazo
2(3H)-Benzothiazolethione,5-chloro-(9CI)
2-mercapto-5-chloro benzothiazole
5-Chloro-2-mercaptobenzothiazole, HPLC 98%
5-CHLORO-2-MERCAPTOBENZOTHIAZOLE 96+%
5-Chloro-2-mercaptobenzothiazine
[EINECS(EC#)]

226-235-0
[Molecular Formula]

C7H4ClNS2
[MDL Number]

MFCD00005783
[Molecular Weight]

201.7
[MOL File]

5331-91-9.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow to yellow-green or light brown
[Melting point ]

198-200 °C(lit.)
[Boiling point ]

333.2±44.0 °C(Predicted)
[density ]

1.4472 (rough estimate)
[refractive index ]

1.6000 (estimate)
[storage temp. ]

2-8°C
[form ]

powder to crystal
[pka]

8.88±0.20(Predicted)
[color ]

White to Yellow to Green
[InChI]

1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
[InChIKey]

NKYDKCVZNMNZCM-UHFFFAOYSA-N
[SMILES]

Sc1nc2cc(Cl)ccc2s1
[CAS DataBase Reference]

5331-91-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37:Wear suitable gloves .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

DL6490000
[HS Code ]

29342000
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Chloro-2-mercaptobenzothiazole(5331-91-9).msds
Hazard InformationBack Directory
[Chemical Properties]

LIGHT YELLOW TO YELLOW-GREEN GRANULAR POWDER
[Uses]

5-Chloro-2-mercaptobenzothiazole (CMBZT) has been used in the analysis of lipopolysaccharide by negative-ion matrix-assisted laser desorption ionization-time of flight mass spectrometry. It has been used in the synthesis of the new mixed ligand silver(I) chloride complex with the heterocyclic thioamide CMBZT and tri(p-tolyl)phosphine. Found to be more sensitive than DHB for analysis of high mannose N-linked glycans. Used in analysis of peptidoglycan muropeptides.
[General Description]

5-Chloro-2-mercaptobenzothiazole(CMBZT) reacts with iodine in a molar ratio of 1:1 to form charge-transfer complex (CMBZT)I2.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Chloro-2-mercaptobenzothiazole(5331-91-9)MS
5-Chloro-2-mercaptobenzothiazole(5331-91-9)1HNMR
5-Chloro-2-mercaptobenzothiazole(5331-91-9)13CNMR
5-Chloro-2-mercaptobenzothiazole(5331-91-9)IR1
5-Chloro-2-mercaptobenzothiazole(5331-91-9)IR2
5-Chloro-2-mercaptobenzothiazole(5331-91-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Chloro-2-mercaptobenzothiazole, 90%(5331-91-9)
[Alfa Aesar]

5-Chloro-2-mercaptobenzothiazole, 98%(5331-91-9)
[Sigma Aldrich]

5331-91-9(sigmaaldrich)
[TCI AMERICA]

5-Chloro-2-mercaptobenzothiazole,>96.0%(T)(5331-91-9)
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