Introduction:Basic information about CAS 102-77-2|2-(Morpholinothio)benzothiazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-(Morpholinothio)benzothiazole |
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| CAS Number | 102-77-2 | Molecular Weight | 252.35600 |
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| Density | 1.34-1.40 | Boiling Point | 413.1ºC at 760 mmHg |
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| Molecular Formula | C11H12N2OS2 | Melting Point | 78-80°C |
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| MSDS | / | Flash Point | 203.6ºC |
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Names
| Name | 4-(Benzo[d]thiazol-2-ylthio)morpholine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.34-1.40 |
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| Boiling Point | 413.1ºC at 760 mmHg |
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| Melting Point | 78-80°C |
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| Molecular Formula | C11H12N2OS2 |
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| Molecular Weight | 252.35600 |
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| Flash Point | 203.6ºC |
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| Exact Mass | 252.03900 |
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| PSA | 78.90000 |
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| LogP | 2.57350 |
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| Vapour Pressure | 2.92E-08mmHg at 25°C |
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| Index of Refraction | 1.703 |
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| InChIKey | MHKLKWCYGIBEQF-UHFFFAOYSA-N |
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| SMILES | c1ccc2sc(SN3CCOCC3)nc2c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DL5950000
- CHEMICAL NAME :
- Benzothiazole, 2-(morpholinothio)-
- CAS REGISTRY NUMBER :
- 102-77-2
- BEILSTEIN REFERENCE NO. :
- 0191684
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 17
- MOLECULAR FORMULA :
- C11-H12-N2-O-S2
- MOLECULAR WEIGHT :
- 252.37
- WISWESSER LINE NOTATION :
- T56 BN DSJ CS- AT6N DOTJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1870 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Skin and Appendages - hair
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1520 mg/kg/15w-I
- TOXIC EFFECTS :
- Vascular - BP lowering not characterized in autonomic section Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 464 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Parenteral
- DOSE :
- 400 mg/kg
- SEX/DURATION :
- female 4-11 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Parenteral
- DOSE :
- 800 mg/kg
- SEX/DURATION :
- male 2 day(s) pre-mating female 2 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
MUTATION DATA - TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - mouse Lymphocyte
- DOSE/DURATION :
- 10 mg/L
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 5,193,1983 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7192 No. of Facilities: 271 (estimated) No. of Industries: 5 No. of Occupations: 25 No. of Employees: 14076 (estimated) No. of Female Employees: 1420 (estimated)
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Safety Information
| Hazard Codes | Xi: Irritant;N: Dangerous for the environment; |
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| Risk Phrases | R22 |
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| Safety Phrases | S20/21-S36-S61-S37-S26-S24 |
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| RIDADR | 3077 |
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| RTECS | DL5950000 |
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| HS Code | 2934200090 |
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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 203-052-4 |
| MFCD00022870 |
| 2-(Morpholinothio)benzothiazole |
| N-Oxydiethylene-2-benzothiazolesulfenamide |
| 2-Benzothiazolyl-N-morpholinosulfide |
| 4-(2-Benzothiazolylthio)-morpholine |
| N-Oxydiethylene-benzothiazolesulfenamide |
| N-Oxydiethylenebenzothiazole-2-sulfenamide |