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7758-79-4

Basic Information
CAS No.: 7758-79-4
Name: N-(Isoxazol-5-yl)sulphanilamide
Molecular Structure:
Molecular Structure of 7758-79-4 (N-(Isoxazol-5-yl)sulphanilamide)
Formula: C9H9N3O3S
Molecular Weight: 239.25
Synonyms: Sulfanilamide,N1-5-isoxazolyl- (8CI);
EINECS: 231-839-2
Density: 1.525 g/cm3
Boiling Point: 482.4 °C at 760 mmHg
Flash Point: 245.5 °C
Solubility: water: 0.5 M at 20 °C, clear, colorless
Appearance: white powder or granules
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 106.60000
LogP: 2.79260
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%
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Chemistry

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

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.

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

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.