3(2H)-Isoxazolone, 5-methyl-2-(2-propynyl)-

Iupac Name：sodium;hypochlorite

CAS No.：7681-52-9

Molecular Weight：74.439

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1. Names and Identifiers

1.1 Name: 3(2H)-Isoxazolone, 5-methyl-2-(2-propynyl)-

2. 3D Conformer

3. Properties

3.1 Melting Point: -16 °C

3.2 Vapour: Vapor pressure, kPa at 20 °C: 2 - 2.5

3.3 Refractive Index: 1.3870

4. Safety and Handling

4.1 Risk Statements: 31-34-36/38-36/37/38

4.2 Safety Statements: 26-36/37/39-45-50A-28A-36

4.3 HazardClass: 8

4.3 Hazard Note: H315; H318; H400

4.4 PackingGroup: III

4.5 Transport: UN 1791

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H314 Causes severe skin burns and eye damage H400 Very toxic to aquatic life
Precautionary statement(s)
Prevention	P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment.
Response	P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P391 Collect spillage.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Computational chemical data

Molecular Weight：74.439g/mol
Molecular Formula：C_₁₁H_₉N_₅O_₂
Compound Is Canonicalized：True
Exact Mass：73.954
Monoisotopic Mass：73.954
Complexity：4.8
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：23.1A^2
Heavy Atom Count：3
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：2
CACTVS Substructure Key Fingerprint： AAADcQAAICAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==

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8. Question & Answer

Safety of IPA and sodium hypochlorite mixture? Aug 31 2021
Is the mixture of 97% isopropyl alcohol and 0.5% of sodium hypochlorite safe? Do they react together and form any compounds ? Does this mixture present more danger to humans and animals than its ingredients separately ?
How to study Sodium hypochlorite stability with materials Aug 26 2021
first of all I'm not not sure to be in the right stack exchange site, but I'm a material engineering student and this year I have a project: choose a material for a container filled with Sodium hypochlorite, my university has given us CES Edupack, that contains a lot of infomartion about mechanical...
Chlorination of Water using sodium hypochlorite Aug 14 2021
N a C l O X ( s ) + H X 2 O ↽ − − ⇀ N a O H X ( a q ) + H C l O X ( a q ) " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" N a C l O X ( s ) + H X 2 O ? ? ? ? N a O H X ( a q ) + H C l O X ( a q ) N a C l O X ( s ) +...
Precipitate Sodium Hypochlorite from tap water before distillation Aug 07 2021
Is there a fairly simple way to precipitate Sodium Hypochlorite from tap water before I distill it? Or, second best, a way to neutralize it?

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