LABOTEST-BB LT00454107
2-Amino-6-nitrobenzothiazole
CAS: 6285-57-0
Molecular Formula: C7H5N3O2S
LABOTEST-BB LT00454107 - Names and Identifiers
| Name | 2-Amino-6-nitrobenzothiazole |
| Synonyms | IFLAB-BB F1386-0392 LABOTEST-BB LT00454107 6-nitro-2-benzothiazolamin 6-Nitro-2-benzothiazolamine 6-NITRO-2-BENZOTHIAZOLAMINE 2-Amino-6-nitrobenzothiazole 2-AMINO-6-NITROBENZOTHIAZOLE 6-NITRO-2-AMINOBENZOTHIAZOLE 2-Amino-6-Nitro Benzothiazole 6-NITRO-BENZOTHIAZOL-2-YLAMINE 6-nitro-1,3-benzothiazol-2-amine 6-NITRO-1,3-BENZOTHIAZOL-2-AMINE 6-nitro-1,3-benzothiazol-2-ylamine |
| CAS | 6285-57-0 |
| EINECS | 228-513-7 |
| InChI | InChI=1/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9) |
LABOTEST-BB LT00454107 - Physico-chemical Properties
| Molecular Formula | C7H5N3O2S |
| Molar Mass | 195.2 |
| Density | 1.4666 (rough estimate) |
| Melting Point | 247-249 °C (lit.) |
| Boling Point | 411.7±37.0 °C(Predicted) |
| Flash Point | 202.8°C |
| Vapor Presure | 5.48E-07mmHg at 25°C |
| pKa | 1.76±0.10(Predicted) |
| Refractive Index | 1.6740 (estimate) |
| Use | Used as intermediate of disperse dyes and azo dyes |
LABOTEST-BB LT00454107 - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | DL0865000 |
| TSCA | Yes |
| HS Code | 29342080 |
| Hazard Class | 6.1 |
| Packing Group | III |
LABOTEST-BB LT00454107 - Nature
Open Data Verified Data
orange-yellow needle-like crystals.
Last Update：2024-01-02 23:10:35
LABOTEST-BB LT00454107 - Use
Open Data Verified Data
for the synthesis of disperse dyes.
Last Update：2022-01-01 10:57:36
LABOTEST-BB LT00454107 - Safety
Open Data Verified Data
Two-step synthesis
- with 2 amino benzothiazole as raw material, first with acetic anhydride to protect the amino group, and then nitrated, and then hydrolyzed to acetyl, or in concentrated sulfuric acid with concentrated nitric acid nitration. And raw material 2 amino benzothiazole from aniline by thiocyanate, oxidation ring system (2) with phenyl thiourea as raw material, first nitration into 4 Nitro phenyl thiourea, it is formed by re-cyclization.
- one-step synthesis phenyl thiourea in concentrated sulfuric acid cyclization, nitration two-step reaction in one pot. Phenyl thiourea was dissolved in 98% sulfuric acid, and the cyclization reaction was completed in about 2H at room temperature under the catalytic amount of bromine; then fuming nitric acid is added dropwise to the reaction solution at 5-10 ° C., and nitration reaction can be completed on the order of th to obtain 2-amino-6-nitrobenzothiazole. This method has the advantages of short reaction time, simple operation, the yield can reach more than 96%, the product content is 97%, and it is suitable for industrial production.
- p-nitroaniline method with sodium thiocyanate reaction of p-nitrophenyl thiourea; And then with the role of sulfur chloride derived.
Last Update：2022-01-01 10:57:37
LABOTEST-BB LT00454107 - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | use as intermediate of disperse dyes and azo dyes |
| production method | 1. Two-step synthesis (1) 2-aminobenzothiazole as raw material, first with acetic anhydride to protect the amino group, and then nitration, and then hydrolysis to acetyl, or in concentrated sulfuric acid with concentrated nitric acid nitration. And the raw material 2-aminobenzothiazole from aniline by thiocyanate, oxidation ring system. (2) phenyl thiourea as raw material, the first nitration into 4-nitrophenyl thiourea, then ring. One-step synthesis of phenyl thiourea in concentrated sulfuric acid cyclization, nitration two-step reaction in a pot to complete. Phenyl thiourea was dissolved in 98% sulfuric acid and the cyclization reaction was completed in about 2H at room temperature under the action of a catalytic amount of bromine; then fuming nitric acid was added dropwise to the reaction solution at 5-10 ° C., and the nitration reaction was completed about 1H to obtain 2-amino-6-nitrobenzothiazole. The reaction formula is as follows: This method has the advantages of short reaction time, simple operation, the yield can reach more than 96%, the product content is 97%, and it is suitable for industrial production. P-nitroaniline method and sodium thiocyanate reaction of p-nitrophenyl thiourea; And then with the role of sulfur chloride obtained, the reaction formula is as follows: |
Last Update：2024-04-09 21:11:58
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View History
LABOTEST-BB LT00454107
DODECYLTRIMETHYLAMMONIUM HYDROGEN SULFAT E, FOR IPC
双(二苄叉丙酮)钯
达拉菲尼中间体2
1-(5-氟吡啶-2-基)乙胺二盐酸盐
法尼基转移酶FTASE抑制剂(FTI-277 HYDROCHLORIDE)
倍他米松-21-戊酸酯
2-溴-4-氟苯甲酰胺
5-乙酰噻吩-2-甲酰胺(阿罗洛尔杂质)
4-羧基-5-巯基-3-羟基-异噻唑三钠,头孢替坦侧链
DODECYLTRIMETHYLAMMONIUM HYDROGEN SULFAT E, FOR IPC
双(二苄叉丙酮)钯
达拉菲尼中间体2
1-(5-氟吡啶-2-基)乙胺二盐酸盐
法尼基转移酶FTASE抑制剂(FTI-277 HYDROCHLORIDE)
倍他米松-21-戊酸酯
2-溴-4-氟苯甲酰胺
5-乙酰噻吩-2-甲酰胺(阿罗洛尔杂质)
4-羧基-5-巯基-3-羟基-异噻唑三钠,头孢替坦侧链