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N-(Isoxazol-5-yl)sulphanilamide

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Name

N-(Isoxazol-5-yl)sulphanilamide

EINECS 231-839-2
CAS No. 7758-79-4 Density 1.525 g/cm3
PSA 106.60000 LogP 2.79260
Solubility water: 0.5 M at 20 °C, clear, colorless Melting Point N/A
Formula C9H9N3O3S Boiling Point 482.4 °C at 760 mmHg
Molecular Weight 239.25 Flash Point 245.5 °C
Transport Information N/A Appearance white powder or granules
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7758-79-4 (N-(Isoxazol-5-yl)sulphanilamide) Hazard Symbols IrritantXi
Synonyms

Sulfanilamide,N1-5-isoxazolyl- (8CI);

 

N-(Isoxazol-5-yl)sulphanilamide Synthetic route

1H-pyrrolo[2,3-d]pyrimidine-2,4,5,6(3H, 7H)-tetrone

7758-79-4

sulfaisoxazole

N-isoxazol-5-yl-4-{[(5Z)-2,4,6-trioxo-1,2,3, 4,6,7-hexahydro-5H-pyrrolo[2,3-d]pyrimidin-5-ylidene]amino}benzenesulfonamide

Conditions
ConditionsYield
With acetic acid Reflux;61%

1H-pyrrolo[2,3-d]pyrimidine-2,4,5,6(3H, 7H)-tetrone

7758-79-4

sulfaisoxazole

C15H10N6O6S

Conditions
ConditionsYield
Reflux;61%

N-(Isoxazol-5-yl)sulphanilamide Chemical Properties

IUPAC Name: 4-Amino-N-(1,2-oxazol-5-yl)benzenesulfonamide 
Following is the structure of Benzenesulfonamide,4-amino-N-5-isoxazolyl- (CAS NO.7758-79-4):
                          
Empirical Formula: C9H9N3O3S
Molecular Weight: 239.2511
EINECS: 231-448-7
Index of Refraction: 1.658
Molar Refractivity: 57.83 cm3
Molar Volume: 156.8 cm3
Density: 1.525 g/cm3
Flash Point: 245.5 °C
Surface Tension: 76.6 dyne/cm
Enthalpy of Vaporization: 74.73 kJ/mol
Boiling Point: 482.4 °C at 760 mmHg
Vapour Pressure: 1.84E-09 mmHg at 25 °C
Solubility: H2O: 0.5 M at 20 °C, clear, colorless
Appearance of Benzenesulfonamide,4-amino-N-5-isoxazolyl- (CAS NO.7758-79-4): White powder
Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=NO2
InChI: InChI=1S/C9H9N3O3S/c10-7-1-3-8(4-2-7)16(13,14)12-9-5-6-11-15-9/h1-6,12H,10H2
InChIKey: CVLLLVDWOLWLPK-UHFFFAOYSA-N

N-(Isoxazol-5-yl)sulphanilamide Toxicity Data With Reference

 Benzenesulfonamide,4-amino-N-5-isoxazolyl- (CAS NO.7758-79-4) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.

N-(Isoxazol-5-yl)sulphanilamide Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: WC4500000
F: 3

N-(Isoxazol-5-yl)sulphanilamide Specification

 Benzenesulfonamide,4-amino-N-5-isoxazolyl- , its cas register number 7758-79-4. It also can be called 4-Amino-N-(1,2-oxazol-5-yl)benzenesulfonamide ;  N-(Isoxazol-5-yl)sulphanilamide ; and 4-Amino-N-5-isoxazolylbenzenesulfonamide .
 Benzenesulfonamide,4-amino-N-5-isoxazolyl- (CAS NO.7758-79-4) absorbs moisture or water from the air. It should avoid the condition like incompatible materials, exposure to moist air or water. It is not compatible with strong oxidizing agents, strong acids. And also prevent it to broken down into hazardous decomposition products: Oxides of phosphorus, sodium oxide. However, its hazardous polymerization will not occur.

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