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Benzenesulfonamide, 4-amino-N-5-isoxazolyl-

HCID 82193
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Basic information

CAS
7758-79-4
Standard SMILES
Nc1ccc(S(=O)(=O)Nc2ccno2)cc1
InChIKey
CVLLLVDWOLWLPK-UHFFFAOYSA-N
Molecular formula
C9H9N3O3S
Average molar mass
239.25 g/mol
Monoisotopic mass
239.03646215

Names & identifiers

Preferred name
Benzenesulfonamide, 4-amino-N-5-isoxazolyl-
IUPAC
4-amino-N-(1,2-oxazol-5-yl)benzenesulfonamide
English name
N-(Isoxazol-5-yl)sulphanilamide
Molecular formula
C9H9N3O3S
Molecular weight
239.25

Names & synonyms

7758-79-4Benzenesulfonamide, 4-amino-N-5-isoxazolyl-N-(Isoxazol-5-yl)sulphanilamideEINECS 231-839-2DTXSID6074677RefChem:5637664-AMINO-N-5-ISOXAZOLYLBENZENESULFONAMIDEDTXCID7047980231-839-24-Amino-N-(isoxazol-5-yl)benzenesulfonamide4-amino-N-(1,2-oxazol-5-yl)benzenesulfonamide4-Amino-N-(1,2-oxazol-5-yl)benzene-1-sulfonamide
Show more names
DISODIUM PHOSPHATEDSPDISODIUM HYDROGEN PHOSPHATEBUFFER SOLUTIONDIBASIC SODIUM PHOSPHATEDSPAAnhydrous disodium hydrogen phosphateSODIUM PHOSPHATE, DIBASICSODIUM MONOHYDROGEN PHOSPHATESECONDARY SODIUM PHOSPHATE
Benzenesulfonamide,4-amino-N-5-isoxazolyl-SCHEMBL21654235CVLLLVDWOLWLPK-UHFFFAOYSA-NCS-W023162NS00020030

Database identifiers

CAS
7758-79-4
PubChem CID
82193
DTXSID
DTXSID6074677
EC Number
231-839-2
Nikkaji
J326.546C

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
319

Physicochemical properties

Melting point
-6 °C · -6°C
Boiling point
482.4 · 482.4±51.0 °C(Predicted)
Density
1.064 g/mL · 1.064 g/mL at 20 °C
vapor density
4.9 · 4.9 (vs air)
vapor pressure
23 hPa · 23 hPa ( 20 °C)
storage temp.
15 · 15-25°C
solubility
2 O: · H2O: 0.5 M at 20 °C, clear, colorless
pka
4.6 · 4.60±0.30(Predicted)
form
powder
PH
9.2 · 9.2 (25°C in H2O)
Exposure limits
2 mg/m3OSHA: · ACGIH: Ceiling 2 mg/m3OSHA: TWA 2 mg/m3NIOSH: IDLH 10 mg/m3; Ceiling 2 mg/m3
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
SMILES
C1(S(NC2ON=CC=2)(=O)=O)=CC=C(N)C=C1
CAS DataBase Reference
7758 · 7758-79-4(CAS DataBase Reference)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenesulfonamide, 4-amino-N-5-isoxazolyl-

4-Amino-N-5-isoxazolylbenzenesulfonamide: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
3
wgk
3
rtecs
WC4500000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36-24/25
Hazard statements
H315-H319-H335
Precautionary statements
P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c

Chemistry & industry

Applications · 4 items

DescriptionN-(Isoxazol-5-yl)sulphanilamide is one of the inorganic compounds that is commonly used in food industry thanks to its ability of acting as a chemical buffer. It helps stabilize the PH value, prevent coagulation, and enhance food characteristics like nutritional value and cooking performance. It also finds application in medical use. It can stimulate general liver activities, allowing it to operate in the first place. Besides, disodium phosphate can be used in non-food industries. It can be applied in water treatment for retarding the formation of calcium scale. It is also found in some flame retardant, detergents and cleaning agents.

Usesdisodium phosphate is a hydroscopic inorganic salt, it absorbs moisture that is then released to the skin. In dry climatic conditions, however, it may draw moisture from the skin and release it to the air, aggravating dryness. Without water, disodium phosphate may cause slight irritation. It can also be used in a cosmetic as a fragrance, and to adjust pH or keep pH stable. Finally, it can be selected to reduce corrosion of metallic materials used for product packaging.

UsesBuffer solutions are used as a means of keeping pH at a nearly constant value in a wide variety of chemical applications. Buffer solutions are essential to maintain the suitable condition to keep the correct pH for enzymes in many organisms to work. It is also used in fermentation processes and in setting the correct conditions for dyes used in coloring fabrics.

UsesN-(Isoxazol-5-yl)sulphanilamide is the disodium salt of phosphoric acid which functions as a protein stabilizer, buffer, dispersant, and coagulation accelerator. It is mildly alkaline with a 1% solution having a ph of 9.2. It is moderately soluble in water with a solubility of 12 g in 100 ml at 25°c. It is used in farina and macaroni to shorten the cooking time by making the particles swell faster and cook more thoroughly. In evaporated milk it acts as a buffer and prevents gelation, also acting as a buffer in coffee whiteners. It is an accelerator of the setting time in instant puddings. In cream sauce and whipped products it functions as a dispersant by producing a swelling of protein.

Upstream & downstream products

Downstream products

Sodium Phosphate, Dibasic

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
FDA 21 CFR
182.629 · 182.6290; 582.6290
EWG's Food Scores
1 · 1
EPA Substance Registry System
4 · Benzenesulfonamide, 4-amino-N-5-isoxazolyl- (7758-79-4)
UNSPSC Code
41116107 · 41116107
NACRES
25 · NA.25
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36-24/25
WGK Germany
3 · 3
RTECS
4500000 · WC4500000
F
3 · 3
Tetrasodium pyrophosphate
PROCION RED MX-5B