Sulfisoxazole
Names
[ CAS No. ]:
127-69-5
[ Name ]:
Sulfisoxazole
[Synonym ]:
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide
4-Amino-N-(3,4-dimethylisoxazol-5-yl)-benzenesulfonamide
4-Amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
Gantrizin
Sulfisoxazole
T5NOJ CMSWR DZ& D1 E1
N1-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide
Benzenesulfonamide, 4-amino-N-(3,4-dimethyl-5-isoxazolyl)-
Sulfafurazole
EINECS 204-858-9
MFCD00003150
4-Amino-N-(3,4-d
5-(p-Aminobenzenesulfonamido)-3,4-dimethylisooxazole
4-Amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Biological Activity
[Description]:
[Related Catalog]:
[References]
[Related Small Molecules]
Chemical & Physical Properties
[ Density]:
1.4±0.1 g/cm3
[ Boiling Point ]:
482.2±55.0 °C at 760 mmHg
[ Melting Point ]:
195°C
[ Molecular Formula ]:
C11H13N3O3S
[ Molecular Weight ]:
267.304
[ Flash Point ]:
245.4±31.5 °C
[ Exact Mass ]:
267.067749
[ PSA ]:
106.60000
[ LogP ]:
1.01
[ Vapour Pressure ]:
0.0±1.2 mmHg at 25°C
[ Index of Refraction ]:
1.626
[ Storage condition ]:
2-8°C
[ Stability ]:
Stable. Incompatible with strong oxidizing agents.
[ Water Solubility ]:
<0.1 g/100 mL at 22.5 ºC
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- WO9100000
- CHEMICAL NAME :
- Sulfanilamide, N(sup 1)-(3,4-dimethyl-5-isoxazolyl)-
- CAS REGISTRY NUMBER :
- 127-69-5
- BEILSTEIN REFERENCE NO. :
- 0263871
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 17
- MOLECULAR FORMULA :
- C11-H13-N3-O3-S
- MOLECULAR WEIGHT :
- 267.33
- WISWESSER LINE NOTATION :
- T5NOJ CMSWR DZ& D1 E1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- 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 :
- 6800 mg/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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 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 :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2500 mg/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 - rabbit
- DOSE/DURATION :
- 20 gm/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
- DOSE :
- 6 gm/kg
- SEX/DURATION :
- female 9-14 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 6 gm/kg
- SEX/DURATION :
- female 7-12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
MUTATION DATA
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 100 mg/L
- REFERENCE :
- SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 236,933,1987 *** REVIEWS *** IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 24,275,1980 IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 24,275,1980 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,347,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80541 No. of Facilities: 353 (estimated) No. of Industries: 2 No. of Occupations: 9 No. of Employees: 4053 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80541 No. of Facilities: 258 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 5506 (estimated) No. of Female Employees: 3068 (estimated)
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H315-H319-H335
[ Precautionary Statements ]:
P305 + P351 + P338
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xi:Irritant;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S26-S36
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
2
[ RTECS ]:
WO9100000
[ HS Code ]:
2935009090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2935009090
[ Summary ]:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%
Articles
J. Sci. Ind. Res. 65(10) , 808, (2006)
Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...
Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrinsBioorg. Med. Chem. 17 , 896-904, (2009)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...
Fast determination of 22 sulfonamides from chicken breast muscle using core-shell nanoring amino-functionalized superparamagnetic molecularly imprinted polymer followed by liquid chromatography-tandem mass spectrometry.J. Chromatogr. A. 1345 , 17-28, (2014)
A novel, simple and sensitive method was developed for the simultaneous determination of 22 sulfonamides (SAs) in chicken breast muscle by using the dispersive micro-solid-phase extraction (d-μ-SPE) p...