6-Nitro-2-benzothiazolinone
- CAS No.
- 28620-12-4
- Chemical Name:
- 6-Nitro-2-benzothiazolinone
- Synonyms
- 6-Nitrobenzothiazolone;6-NITRO-BENZOTHIAZOL-2-ONE;6-nitrobenzothiazolin-2-one;6-NITRO-2-BENZOTHIAZOLINONE;6-nitro-2H-benzothiazolinone;6-nitro-2(3H)-benzothiazolone;2-Hydroxy-6-nitrobenzothiazol;2(3H)-Benzothiazolone,6-nitro;6-Nitrobenzo[d]thiazol-2(3H)-one;6-nitro-3H-1,3-benzothiazol-2-one
- CBNumber:
- CB1129843
- Molecular Formula:
- C7H4N2O3S
- Molecular Weight:
- 196.18
- MDL Number:
- MFCD00239350
- MOL File:
- 28620-12-4.mol
- MSDS File:
- SDS
| Melting point | 246 °C (dec.) (lit.) |
|---|---|
| Density | 1.603±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | viscous liquid |
| pka | 8.78±0.20(Predicted) |
| Appearance | Light yellow to yellow Solid |
| InChI | 1S/C7H4N2O3S/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10) |
| InChIKey | QITPMSSAFSZYOP-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc2NC(=O)Sc2c1 |
| CAS DataBase Reference | 28620-12-4(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| target organs | Respiratory system |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| HS Code | 29342000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
6-Nitro-2-benzothiazolinone price More Price(42)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 441929 | 6-Nitro-2-benzothiazolinone | 28620-12-4 | 1g | $21.3 | 2023-06-20 | Buy |
| Apolloscientific | OR322239 | 6-Nitro-2-benzothiazolinone >98% | 28620-12-4 | 250mg | $21 | 2026-06-04 | Buy |
| Apolloscientific | OR322239 | 6-Nitro-2-benzothiazolinone >98% | 28620-12-4 | 1g | $30 | 2026-06-04 | Buy |
| Apolloscientific | OR322239 | 6-Nitro-2-benzothiazolinone >98% | 28620-12-4 | 5g | $112 | 2026-06-04 | Buy |
| Apolloscientific | OR322239 | 6-Nitro-2-benzothiazolinone >98% | 28620-12-4 | 25g | $365 | 2026-06-04 | Buy |
6-Nitro-2-benzothiazolinone Chemical Properties, Uses, Production
Chemical Properties
White solid
Uses
6-Nitro-2-benzothiazolinone may be used as a starting reagent for the synthesis of 3-alkyl-6-nitro-2-benzothiazolinones.
General Description
6-Nitro-2-benzothiazolinone is a 6-substituted 2-benzothiazolinone.
Synthesis
934-34-9
28620-12-4
General procedure for the synthesis of 6-nitro-2-(3H)-benzothiazolone from 2-hydroxybenzothiazole: 3H-benzothiazol-2-one (10 g, 66 mmol) was added to 70% nitric acid (20 mL), and the reaction was stirred for 3 h at 20 °C. After completion of the reaction, the precipitate was collected by filtration and washed with deionized water. The crude product was purified by recrystallization from anhydrous ethanol. The yield of this synthesis step was 90% and the melting point of the product was 228-229 °C. It was characterized by 1H NMR (300 MHz, DMSO-d6): δ 7.28 (d, J = 8.9 Hz, 1H, H4), 8.18 (dd, J = 8.9 Hz, J = 2.4 Hz, 1H, H5), 8.65 (d, J = 2.5 Hz, 1H, H7), and 12.54 (br s, 1H, NH).13C NMR ( 75 MHz, DMSO-d6) characterization: δ 111.9 (CH), 119.6 (CH), 123.2 (CH), 125.0 (Caro), 142.5 (Caro), 142.9 (Caro), 171.0 (CO).LCMS (ESI-) analysis: calculated value of [M-H+] is 195.0; measured value is 195.0.
References
[1] European Journal of Medicinal Chemistry, 2015, vol. 92, p. 807 - 817
[2] Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 1503 - 1509
[3] Monatshefte fur Chemie, 2011, vol. 142, # 1, p. 67 - 80
[4] Chemistry of Heterocyclic Compounds, 1990, vol. 25, # 11, p. 1294 - 1296
[5] Patent: US2003/40533, 2003, A1
6-Nitro-2-benzothiazolinone Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Shanghai Longsheng chemical Co.,Ltd. | 58099637 13585536065 | sales@shlschem.com | China | 9880 | 59 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| China DongFan Chemical Co.,LTD | 86-0571-85151182 | China | 5681 | 66 | |
| XiaoGan ShenYuan ChemPharm co,ltd | 15527621225; 15527621225 | 1791901229@qq.com | China | 6742 | 52 |
| Springchem New Material Technology Co.,Limited | +86-021-62885108 | info@spring-chem.com | China | 2068 | 57 |
| chenyue Chemicals Co., Ltd. | +86-0519-85500896 | benzoxazolone@163.com | China | 178 | 58 |
| Shanghai Sphchem Co., Ltd. | 021-56491756 13512199871 | 2819742715@qq.com | China | 3994 | 55 |
| Beijing Taiya Jie Technology Development Co., Ltd. | 021-33690831-8001 13552411790;18616022633 | postmaster@tyjchem.cn | China | 1541 | 55 |
| Chiba Pharmaceutical Science and technology Co, Ltd. | 0531-81313138 13066006660 | chibapharm@foxmail.com | China | 3996 | 55 |
View Latest Price from 6-Nitro-2-benzothiazolinone manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2022-01-15 | 6-nitrobenzothiazolin-2-one
28620-12-4
|
1KG | 98.5% | 100 tons | Honest Joy Holdings Limited | ||
 |
2021-08-12 | 6-Nitro-2-benzothiazolinone
28620-12-4
|
$10.00-15.00 | 1KG | 99%+ HPLC | Zhuozhou Wenxi import and Export Co., Ltd | ||
 |
2019-07-06 | 6-Nitro-2-benzothiazolinone
28620-12-4
|
$1.00 | 1KG | 99% | Career Henan Chemical Co |
-
- 6-nitrobenzothiazolin-2-one
28620-12-4
- $0.00
- 98.5%
- Honest Joy Holdings Limited
-
- 6-Nitro-2-benzothiazolinone
28620-12-4
- $10.00-15.00
- 99%+ HPLC
- Zhuozhou Wenxi import and Export Co., Ltd
-
- 6-Nitro-2-benzothiazolinone
28620-12-4
- $1.00
- 99%
- Career Henan Chemical Co
