ChemicalBook CAS DataBase List 5331-91-9

5331-91-9

Name	5-Chloro-2-mercaptobenzothiazole
CAS	5331-91-9
EINECS(EC#)	226-235-0
Molecular Formula	C7H4ClNS2
MDL Number	MFCD00005783
Molecular Weight	201.7
MOL File	5331-91-9.mol

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

Chemical Properties

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 Data

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. less more
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 . less more
WGK Germany	3
RTECS	DL6490000
HS Code	29342000
Storage Class	11 - Combustible Solids

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Material Safety Data Sheet(MSDS)

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J & K SCIENTIFIC LTD.

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