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

Modify Date: 2024-01-02 17:54:03

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate Structure
S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate structure
Common Name S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate
CAS Number 80756-85-0 Molecular Weight 350.439
Density 1.6±0.1 g/cm3 Boiling Point 563.2±42.0 °C at 760 mmHg
Molecular Formula C13H10N4O2S3 Melting Point 128-130 °C(lit.)
MSDS N/A Flash Point 294.4±27.9 °C

 Names

Name S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate
Synonym More Synonyms

 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

 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

 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%

 Synonyms

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
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