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CAS No.: | 2492-26-4 |
---|---|
Name: | Sodium mercaptobenzothiazole |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H5NNaS2 |
Molecular Weight: | 189.237 |
Synonyms: | 2(3H)-Benzothiazolethione,sodium salt (8CI,9CI);Benzothiazole, 2-mercapto-, sodium deriv. (6CI);Sodium,(2-benzothiazolylthio)- (7CI);2-Benzothiazolethiol sodium salt;2-Mercaptobenzothiazole sodium salt;Duodex;Nacap;Sanbit N-G;Sodium2-benzothiazolethioate;Sodium 2-benzothiazolethiolate;Sodium2-mercaptobenzothiazolate;Sodium 2-mercaptobenzothiazole;Sodium MBT;Sodium mercaptobenzothiazole; |
EINECS: | 219-660-8 |
Density: | 1.25 g/cm3 |
Melting Point: | -6 °C |
Boiling Point: | 281.3 °C at 760 mmHg |
Flash Point: | 123.9 °C |
Solubility: | >=10 g/100 mL at 20 °C in water |
Appearance: | amber liquid with an odor of old rubber |
Hazard Symbols: | Xn |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
Transport Information: | UN 1760 |
PSA: | 66.43000 |
LogP: | 2.85270 |
Conditions | Yield |
---|---|
With sodium hydroxide In water at 14.99℃; Equilibrium constant; Temperature; |
Conditions | Yield |
---|---|
Ambient temperature; | 100% |
With water | |
With ethanol | |
With ethanol | |
With water |
sodium 2-mercaptobenzothiazole
cyanogen chloride
benzo[d]thiazol-2-yl thiocyanate
Conditions | Yield |
---|---|
Ambient temperature; | 100% |
With water | |
With ethanol | |
With ethanol | |
With water |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; | 99% |
sodium 2-mercaptobenzothiazole
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 70℃; for 6h; | 98.5% |
sodium 2-mercaptobenzothiazole
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 70℃; for 6h; | 98.3% |
sodium 2-mercaptobenzothiazole
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 70℃; for 6h; | 98.2% |
Conditions | Yield |
---|---|
With bromonitromethane In methanol | 98% |
With water; chlorine; ammonium chloride | |
With sulfuric acid; water; dihydrogen peroxide |
sodium 2-mercaptobenzothiazole
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 70℃; for 6h; Solvent; Temperature; | 98% |
3-bromo-1-(trimethylsilyl)-1-propyne
sodium 2-mercaptobenzothiazole
2-[3-(trimethylsilyl)prop-2-ynylthio]benzo[d]thiazole
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; for 5h; | 97% |
In N,N-dimethyl-formamide at 20℃; | 97% |
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The Sodium mercaptobenzothiazole,with the CAS registry number 2492-26-4 and EINECS 219-660-8, it is also named as 2(3H)-Benzothiazolethione sodium salt. The product's categories are Classes of Metal Compounds; Na (Sodium) Compounds (excluding simple sodium salts); Typical Metal Compounds. It is amber liquid with an odor of old rubber which reacts vigorously with oxidizing materials (e.g. hydroperoxides). It liberates heat in contact with strong mineral acids or acid fumes. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of Sodium mercaptobenzothiazole can be summarized as:
(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; (17)Tautomer Count: 2; (18)Exact Mass: 189.97611; (19)MonoIsotopic Mass: 189.97611; (20)Topological Polar Surface Area: 69.4; (21)Heavy Atom Count: 11; (22)Complexity: 158.
Uses of Sodium mercaptobenzothiazole:
It is used as promote agent of dithiocarbamate in natural rubber. The solution with water or alcohol can be used as corrosion inhibitor for steel, copper and aluminum products.
Safety Information of Sodium mercaptobenzothiazole:
When you are using this chemical, please be cautious about it as the following.It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].[S-]c1nc2ccccc2s1
2. InChI:InChI=1/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1
3. InChIKey:VLDHWMAJBNWALQ-REWHXWOFAL