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6-Benzothiazolamine

6-Benzothiazolamine structure

CAS No:
533-30-2
Formula:
C7H6N2S
Chemical Name:
6-Benzothiazolamine
Synonyms:
6-Benzothiazolamine;Benzothiazole,6-amino-;6-Aminobenzothiazole;(Benzothiazol-6-yl)amine;NSC 170647;1,3-Benzothiazol-6-amine;Benzo[d]thiazol-6-amine;6-Amino-1,3-benzothiazole;(Benzo[d]thiazol-6-yl)amine
Categories:
Organic Chemistry > Heterocyclic Ring

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Description

Yellow solid

6-Benzothiazolamine Basic Attributes

Molecular Weight：

150.2

Exact Mass：

150.20

BRN：

116381

EC Number：

208-559-4

UNII：

9YFG4WUJ1G

NSC Number：

170647

DSSTox ID：

DTXSID90201443

HScode：

2934999090

Characteristics

PSA：

67.2

XLogP3：

1.3

Appearance：

orange Solid

Density：

1.4±0.1 g/cm3

Melting Point：

87 °C

Boiling Point：

323.1°C at 760 mmHg

Flash Point：

149.2±20.4 °C

Refractive Index：

1.763

Water Solubility：

Slightly soluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

26-36-36/37/39-22

RTECS Number：

DL1050200

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Benzothiazolamine Use and Manufacturing

General procedure: A mixture of compounds 1–4 (6.13 mmol) in ethanol (30 mL) was treated with 10percent Pd/C (20 wt. percentof 1–4) and subjected overnight to 50 psi HTo a solution of 6-nitrobenzothiazole (3.8 g, 0.02mol) in 40 ml 2N HCl was added SnClGeneral procedure: Into a reaction glass vial fitted with a magnetic stirring bar anda septum cap penetrated with a syringe needle was added theCo3O4/NGrC-catalyst (2 molpercent, 3 wtpercent Co-phenanthroline oncarbon, 20 mg) followed by the nitro arene (0.5 mmol), theinternal standard (hexadecane, 100 μL), THF (2 mL), and H2O(200 μL). The reaction vial was then placed into a 300 mL autoclave.The autoclave was flushed twice with nitrogen, pressurized with CO at 30 bar pressure. Finally, the autoclave was usedat 60 bar by adding nitrogen and placed into an aluminiumblock, which was preheated at 125 °C. After 24 h the autoclavewas placed into a water bath and cooled to r.t. Finally, theremaining gas was discharged, and the samples were removedfrom the autoclave, diluted with EtOAc and analyzed by GC. Todetermine the yield of isolated products, the general procedurewas scaled up by the factor of two, and no internal standard wasadded. After the reaction was completed, the catalyst was filteredoff, and the filtrate was concentrated and purified by silicagel column chromatography (n-heptane–EtOAc mixtures) togive the corresponding anilines.

Computed Properties

Molecular Weight:150.20
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:150.02516937
Monoisotopic Mass:150.02516937
Topological Polar Surface Area:67.2
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Formic acid

Acetic acid

Hydrochloric acid

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6-Aminobenzothiazole 99% solid 533-30-2 Dideu

CAS No.: 533-30-2

Grade: Chemical Grade

Content: 99%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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6-Aminobenzothiazole

CAS No.: 533-30-2

Content: 99.00%

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