Introduction:Basic information about CAS 21564-17-0|2-(Thiocyanatomethylthio)benzothiazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-(Thiocyanatomethylthio)benzothiazole |
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| CAS Number | 21564-17-0 | Molecular Weight | 238.352 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 405.6±47.0 °C at 760 mmHg |
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| Molecular Formula | C9H6N2S3 | Melting Point | / |
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| MSDS | / | Flash Point | 199.1±29.3 °C |
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Names
| Name | benthiazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 405.6±47.0 °C at 760 mmHg |
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| Molecular Formula | C9H6N2S3 |
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| Molecular Weight | 238.352 |
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| Flash Point | 199.1±29.3 °C |
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| Exact Mass | 237.969315 |
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| PSA | 115.52000 |
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| LogP | 3.12 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.743 |
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| InChIKey | TUBQDCKAWGHZPF-UHFFFAOYSA-N |
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| SMILES | N#CSCSc1nc2ccccc2s1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XK8151500
- CHEMICAL NAME :
- Thiocyanic acid, 2-(benzothiazolylthio)methyl ester, 80%
- CAS REGISTRY NUMBER :
- 21564-17-0
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C9-H6-N2-S3
- MOLECULAR WEIGHT :
- 238.35
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2538 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BUCKL* Buckman Laboratories, Inc. (1256 N. McLean, Memphis, TN 38108) Volume(issue)/page/year: 14FEB1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BUCKL* Buckman Laboratories, Inc. (1256 N. McLean, Memphis, TN 38108) Volume(issue)/page/year: 14FEB1980 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9401 No. of Facilities: 429 (estimated) No. of Industries: 13 No. of Occupations: 23 No. of Employees: 27975 (estimated) No. of Female Employees: 11764 (estimated)
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Safety Information
| Hazard Codes | T+: Very toxic;N: Dangerous for the environment;Xn: Harmful; |
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| Risk Phrases | R22 |
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| Safety Phrases | S28-S36/37-S38-S45-S60-S61-S36-S26 |
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| RTECS | XK8150900 |
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Synonyms
| Busan 71 |
| Benthiazole |
| Tolcide 2230 |
| Superdavloxan |
| Thiocyanic acid, (2-benzothiazolylthio)methyl ester |
| 2-(thiocyanomethylthio)benzothiazole |
| 2-(thiocyanatomethylthio)-1,3-benzothiazole |
| MFCD00072503 |
| TCMTB |
| T56 BN DSJ CS1SCN |
| Busan 15 |
| 2-((Thiocyanatomethyl)thio)benzo[d]thiazole |
| (2-benzothiazolylthio)methyl thiocyanate |
| 2-thiocyanatomethylsulfanyl-benzothiazole |
| EINECS 244-445-0 |
| thiocyanatomethylthiobenzothiazole |
| Delsan 30 |
| (1,3-Benzothiazol-2-ylsulfanyl)methyl thiocyanate |
| 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate |
| (1,3-benzothiazol-2-ylthio)methyl thiocyanate |
| Alentisan |
| AI3-29396-X |
| 2-(thiocyanatomethylthio)benzothiazole |
| Ichiban |
| Sancelant TMB |