usafxr-27
2-Aminobenzothiazole
CAS: 136-95-8
Molecular Formula: C7H6N2S
usafxr-27 - Names and Identifiers
| Name | 2-Aminobenzothiazole |
| Synonyms | usafxr-27 USAF xr-27 usafek-3941 USAF EK-3941 2-Benzothiazolamine 2-Aminobenzthiazole o-Aminobenzothiazole 1,3-benzodioxol-5-ol 2-Aminobenzothiazole u-Aminoben-zothiazole 2-Iminobenzothiazoline benzothiazol-2-ylamine 1,3-benzothiazol-2-amine |
| CAS | 136-95-8 |
| EINECS | 205-268-4 |
| InChI | InChI=1/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2 |
usafxr-27 - Physico-chemical Properties
| Molecular Formula | C7H6N2S |
| Molar Mass | 150.2 |
| Density | 1.2162 (rough estimate) |
| Melting Point | 126-129 °C (lit.) |
| Boling Point | 190-195 °C(Press: 0.05 Torr) |
| Flash Point | 119.5°C |
| Solubility | Soluble in ethanol, ether and chloroform, soluble in concentrated acid, very slightly soluble in water. |
| Vapor Presure | 0.00331mmHg at 25°C |
| Appearance | Leaf petiole crystal |
| Color | Beige to grayish |
| Merck | 14,424 |
| BRN | 116315 |
| pKa | pK1: 4.48(+1) (20°C) |
| Storage Condition | Store below +30°C. |
| Sensitive | Sensitive to light |
| Refractive Index | 1.5500 (estimate) |
| MDL | MFCD00005785 |
| Physical and Chemical Properties | Thallus crystals. Melting point of 132 ° C, soluble in ethanol, ether and chloroform, soluble in concentrated hydrochloric acid, very difficult to dissolve in water. No decomposition during distillation. |
| Use | Used as pharmaceutical and dye intermediates |
usafxr-27 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36 - Irritating to the eyes |
| Safety Description | 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | DL1050000 |
| TSCA | Yes |
| HS Code | 29342080 |
| Hazard Note | Irritant |
usafxr-27 - Nature
Open Data Verified Data
White leaf-like crystals. The melting point was 128-130 °c. Insoluble in water, soluble in ethanol, ether and chloroform, soluble in concentrated hydrochloric acid. It is extremely stable and does not decompose during distillation.
Last Update：2024-01-02 23:10:35
usafxr-27 - Introduction
It does not decompose during distillation. Median lethal dose (mouse, vein) 126mg/kg. It's irritating.
Last Update：2022-10-16 17:13:37
usafxr-27 - Use
Open Data Verified Data
This product can be used for the manufacture of cationic Violet 3 BL, can also be used for the synthesis of 3 methyl benzothiazole hydrazone, used for the manufacture of cationic Violet 2RL and so on.
Last Update：2022-01-01 10:57:35
usafxr-27 - Safety
Open Data Verified Data
There are two synthesis methods. Sulfur chloride method by phenylthiourea and sulfur chloride and thionyl chloride sulfoxide ring method this method not only short reaction time, convenient operation, and the yield reached the yield of sulfur chloride, and even higher.
Last Update：2022-01-01 10:57:35
usafxr-27 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | dye intermediate. It is used to produce cationic violet 3RL, and synthetic 3-methylbenzothiazole hydrazone is also used to produce cationic violet 2RL, etc. It is also a raw material for other organic synthesis. Used as an intermediate in medicine and dyes Used in organic synthesis Dye intermediate. It is also a raw material for other organic synthesis. A neutral carrier (ionophore) used to construct a polyvinyl chloride membrane electrode for the determination of Ce 3 ions. 2-Aminobenzothiazole is chemically bonded to multi-walled carbon nanotubes to generate an adsorbent for the separation of Pb (II) from aqueous samples. |
| Production method | It is obtained by the reaction of phenylthiourea and sulfur chloride. First, inhale anhydrous chloroform into a glass-lined pot, add phenyl thiourea under stirring, slowly raise the temperature to 60-63 ℃, evaporate water-containing chloroform, cool to 40 ℃ and add sulfur chloride, and the gas phase temperature is not higher than 40 ℃ to avoid agglomeration of materials. After 4h, the temperature was gradually increased to 61 ℃, and the reflux reaction was carried out at 61-64 ℃ for 10h. Then it is discharged into a distillation pot containing a certain amount of water and activated carbon, and chloroform is recovered by direct steam distillation to a liquid phase temperature of 98°C and maintained for 15min. After recovery, dilute with water, cool with ice, add liquid alkali to neutralize until pH value is 4.1, add activated carbon and stir. Cooling and suction filtration, the filtrate is neutralized with 30% liquid alkali to a pH value of 7.0-7.6, then cooled to 35-40 ℃, pressure filtration and drying (temperature not exceeding 80 ℃) to obtain the finished product. Melting point 128-130 ℃, yield 74.4%. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral administration-mouse LD50: 1000 mg/kg; Abdominal cavity-mouse LD50: 200 mg/kg |
| flammability hazard characteristics | combustible; combustion produces toxic nitrogen oxides and sulfur oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:47
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