2-(Morpholinothio)benzothiazole

Modify Date: 2024-01-02 12:13:32

2-(Morpholinothio)benzothiazole Structure
2-(Morpholinothio)benzothiazole structure
Common Name 2-(Morpholinothio)benzothiazole
CAS Number 102-77-2 Molecular Weight 252.35600
Density 1.34-1.40 Boiling Point 413.1ºC at 760 mmHg
Molecular Formula C11H12N2OS2 Melting Point 78-80°C
MSDS N/A Flash Point 203.6ºC

 Names

Name 4-(Benzo[d]thiazol-2-ylthio)morpholine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.34-1.40
Boiling Point 413.1ºC at 760 mmHg
Melting Point 78-80°C
Molecular Formula C11H12N2OS2
Molecular Weight 252.35600
Flash Point 203.6ºC
Exact Mass 252.03900
PSA 78.90000
LogP 2.57350
Vapour Pressure 2.92E-08mmHg at 25°C
Index of Refraction 1.703

 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 DATA

ACUTE 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)

 Safety Information

Hazard Codes Xi: Irritant;N: Dangerous for the environment;
Risk Phrases R22
Safety Phrases S20/21-S36-S61-S37-S26-S24
RIDADR 3077
RTECS DL5950000
HS Code 2934200090

 Synthetic Route

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2-(Morpholinothio)benzothiazole Structure

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CAS#:102-77-2

Literature: Bayer Aktiengesellschaft Patent: US4751301 A1, 1988 ;

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2-(Morpholinothio)benzothiazole Structure

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CAS#:102-77-2

Literature: EP314663 A1, ;

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2-(Morpholinothio)benzothiazole Structure

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CAS#:102-77-2

Literature: Ramadas, Krishnamurthy; Srinivasan, Natarajan Synthetic Communications, 1996 , vol. 26, # 22 p. 4179 - 4184

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2-(Morpholinothio)benzothiazole Structure

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CAS#:102-77-2

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2-(Morpholinothio)benzothiazole Structure

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CAS#:102-77-2

Literature: US2840556 , ; US2730527 , ;

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2-(Morpholinothio)benzothiazole Structure

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CAS#:102-77-2

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 51, # 3 p. 609 - 613,483 - 486

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 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
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