S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

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Names

[ CAS No. ]:
80756-85-0

[ Name ]:
S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

[Synonym ]:
S-2-Benzothiazolyl 2-amino-a-(methoxyimino)-4-thiazolethiolacetate
MFCD00134182
4-Thiazoleethanethioic acid, 2-amino-α-(methoxyimino)-, S-2-benzothiazolyl ester, (αZ)-
EINECS 279-540-6
S-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate
S-2-Benzothiazolyl 2-amino-α-(methoxyimino)-4-thiazolethiolacetate
Ceftriaxone Impurity 4

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
563.2±42.0 °C at 760 mmHg

[ Melting Point ]:
128-130 °C(lit.)

[ Molecular Formula ]:
C13H10N4O2S3

[ Molecular Weight ]:
350.439

[ Flash Point ]:
294.4±27.9 °C

[ Exact Mass ]:
349.996582

[ PSA ]:
172.24000

[ LogP ]:
3.63

[ Vapour Pressure ]:
0.0±1.5 mmHg at 25°C

[ Index of Refraction ]:
1.800

[ Storage condition ]:
Refrigerator, Under Inert Atmosphere

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ4664500
CHEMICAL NAME :
4-Thiazoleethanethioic acid, 2-amino-alpha-(methoxyimino)-, S-2-benzothiazolyl ester, (Z)-
CAS REGISTRY NUMBER :
80756-85-0
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C13-H10-N4-O2-S3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>20 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (3),37,1996
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
570 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (3),37,1996
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (3),37,1996
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
253 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (3),37,1996
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
570 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (3),37,1996

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ WGK Germany ]:
2

[ RTECS ]:
XJ4664500

[ HS Code ]:
2934999090

Precursor & DownStream

Precursor

DownStream

  • Cefpodoxime Proxetil
  • cefpodoxime
  • 2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetic acid
  • 2-Mercaptobenzothiazole
  • Cefetamet
  • cefotaxime
  • Ceftriaxone sodium
  • Ceftriaxone

Customs

[ HS Code ]: 2934200090

[ Summary ]:
2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%