Introduction：Basic information about CAS 16588-67-3|3-[ethyl[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propionon, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-[ethyl[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propiononitrile |
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| CAS Number | 16588-67-3 | Molecular Weight | 427.54300 |
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| Density | 1.32g/cm3 | Boiling Point | 695.7ºC at 760mmHg |
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| Molecular Formula | C20H21N5O2S2 | Melting Point | / |
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| MSDS | / | Flash Point | 374.5ºC |
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Names
| Name | 3-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.32g/cm3 |
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| Boiling Point | 695.7ºC at 760mmHg |
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| Molecular Formula | C20H21N5O2S2 |
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| Molecular Weight | 427.54300 |
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| Flash Point | 374.5ºC |
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| Exact Mass | 427.11400 |
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| PSA | 135.40000 |
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| LogP | 6.24438 |
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| Vapour Pressure | 3.34E-19mmHg at 25°C |
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| Index of Refraction | 1.659 |
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| InChIKey | IMWICXCTLULCFP-UHFFFAOYSA-N |
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| SMILES | CCN(CCC#N)c1ccc(N=Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TZ4690000
- CHEMICAL NAME :
- Propanenitrile, 3-(ethyl(3-methyl-4-((6-(methylsulfonyl)-2-benzothiaz olyl)azo)phenyl)amino )-
- CAS REGISTRY NUMBER :
- 16588-67-3
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 5
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534338
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534338
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534338
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534338
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Synonyms
| 3-[ethyl(3-methyl-4-{[6-(methylsulfonyl)benzothiazol-2-yl]azo}phenyl)amino]propiononitrile |
| Propanenitrile,3-(ethyl(3-methyl-4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino) |
| EINECS 240-646-2 |
| 3-(Ethyl(3-methyl-4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)propanenitrile |
| 3-[ethyl(3-methyl-4-{(e)-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]diazenyl}phenyl)amino]propanenitrile |
| 3-(Ethyl(3-methyl-4-((6-(methylsulphonyl)benzothiazol-2-yl)azo)phenyl)amino)propiononitrile |
