5331-91-9
5331-91-9 structure
- Name: 2-metcapto-5-chloro-benzothiazole
- Chemical Name: 5-Chloro-2-mercaptobenzothiazole
- CAS Number: 5331-91-9
- Molecular Formula: C7H4ClNS2
- Molecular Weight: 201.696
- Catalog: analytical chemistry Standard Spectrometric standard
- Create Date: 2018-07-22 12:14:37
- Modify Date: 2026-06-30 18:50:45
| Name | 5-Chloro-2-mercaptobenzothiazole |
|---|---|
| Synonyms |
5-Chloro-3H-1,3-benzothiazole-2-thione
5-Chloro-2-mercaptobenzothiazole, HPLC 5-Chloro-2-Mercaptobenzothiazole, R 5-chlorobenzo[d]thiazole-2-thiol 5-Chloro-2-benzothiazolethiol, CMBT 5-CHLORO-1,3-BENZOTHIAZOLE-2-THIOL 5-Chloro-2-mercaptobenzothiazine 5-chlorobenzo[d]thiazole-2(3H)-thione 5-CHLORO-2-BENZOTHIAZOLETHIOL 2-MERCAPTO-5-CHLOROBENZOXAZOLE 2-METCAPTO-5-CHLORO-BENZOTHIAZOLE 5-Chlorobenzo[d]thiazole-2(3H)-thione 2(3H)-Benzothiazolethione,5-chloro-(9CI) 5-Chloro-1,3-benzothiazole-2(3H)-thione 5-Choro-2-Mercapto Benzothiazole 5-Chloro-2-mercaptobenzothiazo sh-benzothiazole JR-8336, 5-Chloro-2-mercaptobenzothiazine 5-Chloro-2-mercaptobenzothiazole ade, >= 5-Chloro-2-benzothiazolethiol,CMBT Benzothiazole, 5-chloro-2-mercapto 5-Chloro-2(3H)-benzothiazolethione 2-mercapto-5-chloro benzothiazole EINECS 226-235-0 MFCD00005783 5-chloro-2(3h)-benzothiazolethion 5-Chloro-2-mercaptobenzothiazole > 2-Benzothiazolethiol,5-chloro 5-Chlorobenzo[d]thiazole-2-thiol 5-chloro-2-benzothiazolethio 5-CHLORO-2-MERCAPTOBENZOTHIAZOLE 2(3H)-Benzothiazolethione, 5-chloro 5-CHLORO-BENZOTHIAZOLE-2-THIOL TIMTEC-BB SBB005398 5-chloro-2-mercapto-benzothiazol 5-chloro-3H-1,3-benzothiazole-2-thione |
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 333.2±44.0 °C at 760 mmHg |
| Melting Point | 198-200 °C(lit.) |
| Molecular Formula | C7H4ClNS2 |
| Molecular Weight | 201.696 |
| Flash Point | 155.3±28.4 °C |
| Exact Mass | 200.947372 |
| PSA | 79.93000 |
| LogP | 3.41 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.786 |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | 36/37/38 |
| Safety Phrases | S26-S37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | DL6490000 |
| HS Code | 2934999090 |
|
~94%
5331-91-9 |
| Literature: Hoechst A.G. Patent: US4431813 A1, 1984 ; |
|
~94%
5331-91-9 |
| Literature: Huang, Wei; Tan, Ying; Ding, Ming-Wu; Yang, Guang-Fu Synthetic Communications, 2007 , vol. 37, # 3 p. 369 - 376 |
|
~75%
5331-91-9 |
| Literature: Stella, Alessandro; Segers, Kenneth; De Jonghe, Steven; Vanderhoydonck, Bart; Rozenski, Jef; Anne, Jozef; Herdewijn, Piet Chemistry and Biodiversity, 2011 , vol. 8, # 2 p. 253 - 265 |
| Precursor 4 | |
|---|---|
| DownStream 10 | |
![5-CHLOROBENZO[D]THIAZOLE structure](https://image.chemsrc.com/caspic/125/2786-51-8.png)
![2-(5-CHLOROBENZO[D]THIAZOL-2-YLTHIO)PROPANAMIDE structure](https://image.chemsrc.com/caspic/029/74537-45-4.png)
![2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetonitrile structure](https://image.chemsrc.com/caspic/179/90660-75-6.png)
![3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanenitrile structure](https://image.chemsrc.com/caspic/394/92064-61-4.png)
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |