Zinc 2-mercaptobenzothiazole supplier

Name
Zinc 2-mercaptobenzothiazole
EINECS 205-840-3
CAS No. 155-04-4
Article Data5
CAS DataBase
Density 1.7 g/cm3(Temp: 25 °C)
Solubility 20.6mg/L at 20℃
Melting Point 88°C
Formula 2(C₇H₄NS₂)^.Zn
Boiling Point 281.3 °C at 760 mmHg
Molecular Weight 397.885
Flash Point 123.9 °C
Transport Information
Appearance Off-white to pale yellow powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2(3H)-Benzothiazolethione,zinc salt (8CI,9CI);Benzothiazole, 2-mercapto-, zinc salt (6CI);2-Mercaptobenzothiazole zinc salt;Bis(benzothiazole-2-thiolato)zinc;Hermat Zn-MBT;MZ;Nocceler MZ;OXAF;Pennac ZT;Perkacit ZMBT;Sanceler MZ;Soxinol MZ;
PSA 132.86000
LogP 5.70290

Synthetic route

: 149-30-4
2-Mercaptobenzothiazole

: 7733-02-0
zinc(II) sulfate

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

Conditions

Conditions	Yield
In water Milling; Green chemistry;	99.5%

: 149-30-4
2-thioxo-3H-1,3-benzothiazole

: 5970-45-6
zinc(II) acetate dihydrate

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

Conditions

Conditions	Yield
In ethanol addn. of Zn-compound to hot soln. of ligand with stirring;; filtration of ppt.; washed (EtOH); dried (vacuum, 80°C);	85%

: 557-34-6
zinc diacetate

: 149-30-4
2-Mercaptobenzothiazole

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

Conditions

Conditions	Yield
In ethanol mixing the soln. of Zn(CH3CO2)2 and 2-mercaptobenzothiazole with stirring, 30 min cooling in ice water bath, filtration; collection of the precipitate, washing (de-ionized water), vac. drying at 60 °C overnight;

: 149-30-4
2-Mercaptobenzothiazole

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

Conditions

Conditions	Yield
With carbon dioxide; ammonia; potassium hydroxide; zinc(II) oxide In water at 50 - 100℃; pH=8.57 - 10.67; Product distribution / selectivity;

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

: 152272-24-7
2,2'-bipyridine bis(benzothiazole-2-thionato)zinc(II)

Conditions

Conditions	Yield
With (C5H4N)2 In chloroform; N,N-dimethyl-formamide addn. of ligand in CHCl3/DMF to suspn. fo Zn-compound in CHCl3 at room temp.; stirred for 2 h;; filtration; filtrate allowed to stand at room temp. for 5 d; pptn.; vacuum filtration; washing (acetone); elem. anal.;	85%

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

: 154155-38-1, 14740-86-4
zinc(II)(benzothiazole-2-thiolate)2(pyridine)2

Conditions

Conditions	Yield
With pyridine In pyridine slow addn. of Zn-compound to dry pyridine at room temp. with stirring;; filtration; filtrate allowed to stand for 1 week at room temp.; pptn.; filtration; crystals dried (N2-stream); elem. anal.;	80%

: 66-71-7
1,10-Phenanthroline

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

: zinc(II)(benzothiazole-2-thiolate)2(1,10-phenanthroline)

Conditions

Conditions	Yield
In chloroform; N,N-dimethyl-formamide addn. of ligand in CHCl3/DMF to suspn. fo Zn-compound in CHCl3 at room temp.; stirred for 12 h at 60°C;; filtration; filtrate allowed to stand at room temp. for 2 weeks; pptn.; vacuum filtration; elem. anal.;	70%

: 615-20-3
2-chlorobenzo[d][1,3]thiazole

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

: 4074-77-5
2,2'-thiobis(benzothiazole)

Conditions

Conditions	Yield
In chlorobenzene Heating;

: 2407-11-6
2-chloro-6-nitrobenzothiazole

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

: 91960-67-7
6-nitro-2,2'-sulfanediyl-bis-benzothiazole

Conditions

Conditions	Yield
In benzene Heating;

: 105-39-5
chloroacetic acid ethyl ester

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

: 24044-88-0
ethyl 2-(benzo[d]thiazol-2-ylthio)acetate

Conditions

Conditions	Yield
In chlorobenzene for 8h; Heating;

: 88-11-9
N,N-diethylthiocarbamoyl chloride

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

: 95-30-7
benzo[d]thiazol-2-yl diethylcarbamodithioate

Conditions

Conditions	Yield
In benzene Heating;

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

: 97-00-7
1-chloro-2,4-dinitro-benzene

: 4230-91-5
2-<(2,4-dinitrophenyl)thio>benzotiazole

Conditions

Conditions	Yield
In chlorobenzene for 7h; Heating;

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

: 16420-13-6
N,N-Dimethylthiocarbamoyl chloride

: 3432-25-5
benzo[d]thiazol-2-yl dimethylcarbamodithioate

Conditions

Conditions	Yield
In benzene Heating;

: 155-04-4
2-mercaptobenzothiazole thiazole zinc

: zinc sulfide

Conditions

Conditions	Yield
In further solvent(s) addn. of oleylamine to Zn(Mer)2, vac. evapn. at 100 °C for 30 min, cooling to room temp. Zn(Mer)2 addn., Ar bubbling for 20 min, flash heating to 270 °C for 3.5 h - 12 h in inert atmosphere; centrifugation, washing (EtOH), vac. drying;

Zinc 2-mercaptobenzothiazole Consensus Reports

Reported in EPA TSCA Inventory. Zinc compounds are on the Community Right-To-Know List.

Zinc 2-mercaptobenzothiazole Specification

The Bis(2-benzothiazolylthio)zinc , with cas registry number of 155-04-4, has other registry numbers including 12564-44-2, 16529-10-5, and 96380-91-5. It belongs to categories of Industrial/Fine Chemicals; Organic-metal salt. Its IUPAC name is called zinc 1,3-benzothiazole-2-thiolate . Its systematic name is called zinc bis(1,3-benzothiazole-2-thiolate) . This chemical can be used as rubber accelerator and fungicide.

Physical properties about this chemical are: (1) ACD/LogP: 2.41 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 1.01; (4) ACD/LogD (pH 7.4): -0.09 ; (5) ACD/BCF (pH 5.5): 1.58 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 19.26 ; (8) ACD/KOC (pH 7.4): 1.53 ; (9) #H bond acceptors: 1 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 0 ; (12) Polar Surface Area: 79.93 Å² ; (13) Flash Point: 123.9 °C ; (14) Enthalpy of Vaporization: 49.92 kJ/mol ; (15) Boiling Point: 281.3 °C at 760 mmHg ; (16) Vapour Pressure: 0.00611 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits very toxic fumes of SO_x, NO_x, and ZnO.

You can still convert the following datas into molecular structure:
(1)SMILES:[Zn+2].[S-]c1nc2ccccc2s1.[S-]c1nc2ccccc2s1;
(2)InChI:InChI=1/2C7H5NS2.Zn/c2*9-7-8-5-3-1-2-4-6(5)10-7;/h2*1-4H,(H,8,9);/q;;+2/p-2;
(3)InChIKey:PGNWIWKMXVDXHP-NUQVWONBAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		National Technical Information Service. Vol. AD277-689,
rat	LD50	oral	540mg/kg (540mg/kg)		Vanderbilt, R.T., Co., Technical Data Sheet. Vol. 09DEC1976,

Product Name

Zinc 2-mercaptobenzothiazole

Synthetic route

Zinc 2-mercaptobenzothiazole Consensus Reports

Zinc 2-mercaptobenzothiazole Specification

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