Introduction:Basic information about CAS 95-26-1|2,5-dimethylbenzothiazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,5-dimethylbenzothiazole |
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| CAS Number | 95-26-1 | Molecular Weight | 163.23900 |
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| Density | 1.176 g/cm3 | Boiling Point | 146 °C / 10mmHg |
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| Molecular Formula | C9H9NS | Melting Point | 36-40 °C(lit.) |
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| MSDS | / | Flash Point | >230 °F |
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Names
| Name | 2,5-dimethylbenzothiazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.176 g/cm3 |
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| Boiling Point | 146 °C / 10mmHg |
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| Melting Point | 36-40 °C(lit.) |
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| Molecular Formula | C9H9NS |
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| Molecular Weight | 163.23900 |
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| Flash Point | >230 °F |
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| Exact Mass | 163.04600 |
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| PSA | 41.13000 |
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| LogP | 2.91310 |
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| Index of Refraction | 1.643 |
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| InChIKey | XHANCLXYCNTZMM-UHFFFAOYSA-N |
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| SMILES | Cc1ccc2sc(C)nc2c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DL3675000
- CHEMICAL NAME :
- Benzothiazole, 2,5-dimethyl-
- CAS REGISTRY NUMBER :
- 95-26-1
- BEILSTEIN REFERENCE NO. :
- 0116455
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C9-H9-N-S
- MOLECULAR WEIGHT :
- 163.25
- WISWESSER LINE NOTATION :
- T56 BN DSJ C1 H1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1096,1986
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1096,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 957 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1096,1986
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Safety Information
| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22;R36/37/38 |
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| Safety Phrases | S26-S36 |
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| WGK Germany | 3 |
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| RTECS | DL3675000 |
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| HS Code | 2934999090 |
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Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| EINECS 202-404-4 |
| 2,5-dimethyl-1,3-benzothiazole |
| MFCD00005796 |