2-(Morpholinothio)benzothiazole

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Names

[ CAS No. ]:
102-77-2

[ Name ]:
2-(Morpholinothio)benzothiazole

[Synonym ]:
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

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

MSDS

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

Precursor & DownStream

Precursor

  • morpholine
  • 2,2'-Dithiobis(benzothiazole)
  • 2-Mercaptobenzothiazole
  • Sodium sulfite
  • N-CHLOROMORPHOLINE
  • 2-Benzothiazolesulfenamide

DownStream

  • Benzothiazole, 2-(butylthio)- (7CI,8CI,9CI)
  • 2-Mercaptobenzothiazole
  • di-n-butyl morpholinophosphonate
  • morpholine
  • 2,2'-Dithiobis(benzothiazole)
  • Acetic acid,2-(2-benzothiazolylthio)-, methyl ester
  • Dimethyl morpholinophosphoramidate.
  • DIETHOXYMORPHOLINOPHOSPHINEOXIDE
  • diisopropyl morpholinophosphonate
  • 2-Methylmercaptobenzothiazole

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%


Related Compounds

  • 2-(Benzothiazole-2-ylthio)cyclopentanone
  • 2-Benzothiazole ethanamine,alpha,alpha-dimethyl-(9CI)
  • [2-(Benzothiazole-2-sulfonylamino)-ethylamino]-acetic acid ethyl ester
  • 2-(benzothiazole-2-sulfonyl)-2-(2,4-dinitro-phenyl)-1-phenyl-ethanone
  • 2-Benzothiazole carboxylic acid,6-hydroxy-,ethylester(9CI)
  • 4-(benzothiazol-2-ylthio)-2,6-dimethylmorpholine
  • 3-[(1S)-1-aminoethyl]benzene-1-sulfonyl fluoride
  • Benzyl 3-[(chlorosulfonyl)methyl]-1,2,3,4-tetrahydroquinoline-1-carboxylate
  • tert-butyl N-[3-(chlorosulfonyl)-4-methoxyphenyl]carbamate
  • Tert-butyl 2-[(fluorosulfonyl)methyl]piperidine-1-carboxylate
  • 2-(3-phenyl-1H-pyrazol-4-yl)ethane-1-sulfonyl fluoride
  • tert-butyl 4-[2-(fluorosulfonyl)ethyl]-1H-imidazole-1-carboxylate
  • 2-(2-Chloro-1-benzofuran-3-yl)ethane-1-sulfonyl chloride
  • (2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methanesulfonyl fluoride
  • 2-[2-Fluoro-3-(trifluoromethyl)phenyl]ethane-1-sulfonyl fluoride
  • 1-(4-cyanophenyl)-1H-pyrazole-5-sulfonyl chloride