5-methylisoxazol-3-ol;5-methylisoxazol-3-one

Basic Information

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CAS Number

10004-44-1

Molecular Formula

C8H10N2O4

Molecular Weight

99.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

84.0 to 88.0 deg-C

Boiling Point

363.6°C at 760 mmHg

Flash Point

91.8 oC

Solubility

Soluble in alcohol, acetone, THF, chloroform

Refractive Index

1.4170 (estimate)

SMILES

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Cc1cc(=O)[nH]o1

InChI

InChI=1S/2C4H5NO2/c2*1-3-2-4(6)5-7-3/h2*2H,1H3,(H,5,6)

InChIKey

KKGMKZFMLFUMNS-UHFFFAOYSA-N

LogP

0.27631999999999995

Topological Polar Surface Area

46.0 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

128

Safety Information

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GHS Hazard Pictograms

H302

H318

H412

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Sensitiveness

Light Sensitive

Toxicity

LD50 in male, female mice, rats (mg/kg): 2148, 1968, 4678, 3909 orally; 1297, 1167, 1924, 1884 s.c.; 445, 514, >1000, >1000 i.v.; in rats, rabbits (mg/kg): >10000, >2000 dermally (Nakamura, 1978)

Synonyms & References

English

3-hydroxy-5-methylisoxazole
Hydroxyisoxazole
Hymexazol
Itachioaren
Tachigaren
5-methylisoxazol-3-ol
5-methyl-3(2H)-isoxazolone
5-methyl-1,2-oxazol-3(2H)-one
5-methyl-1,2-oxazol-3-one
5-methyl-3-isoxazolol
5-Methylisoxazol-3(2H)-one
Hymexazole
Hymexazole Solution
5-methyl-1,2-oxazol-3-ol
5-methyl-3-hydroxyisoxazole
Bucide
Itachigarden
bucid
f-319
T 319
butsid
sf-6505
AGRIZOL
SG 6505
HYMEXATE
Malignant
3(2H)-Isoxazolone, 5-methyl-
5-Methyl-isoxazol-3-ol
3-Isoxazolol, 5-methyl-
Hydroxyisoxazole (pesticide)
Hymexazol [BSI:ISO]

MDL Number

MFCD00144468

Customs Code

2934999024

FAQ

What is 5-methylisoxazol-3-ol (CAS: 10004-44-1)?

5-Methylisoxazol-3-ol, also known as 5-methylisoxazol-3-one, is a heterocyclic organic compound with the chemical formula C5H6NO2. It contains a five-membered ring with one oxygen atom and one nitrogen atom, and a methyl group attached to the carbon at position 5. This compound is known for its stability and is commonly used in chemical synthesis due to its versatile reactivity.

What are the main uses of 5-methylisoxazol-3-ol (CAS: 10004-44-1)?

5-Methylisoxazol-3-ol is widely utilized in pharmaceutical research for the synthesis of various drugs and bioactive molecules. It also finds applications in organic chemistry as an intermediate in the production of pesticides, dyes, and other industrial chemicals. Additionally, it is used in research settings for the development of new materials and functional compounds.

Is 5-methylisoxazol-3-ol (CAS: 10004-44-1) safe?

5-Methylisoxazol-3-ol is generally considered safe when handled properly, but it can be harmful if inhaled, ingested, or absorbed through the skin. Safety data suggests that it should be used with appropriate protective equipment, such as gloves and a fume hood. It is important to follow safety guidelines and regulations to ensure safe handling and storage in laboratory and industrial environments.

How should 5-methylisoxazol-3-ol (CAS: 10004-44-1) be stored?

5-Methylisoxazol-3-ol should be stored in a cool, dry, and well-ventilated place, away from direct light. It is recommended to keep it in a sealed container to prevent moisture absorption. Storage at temperatures below 25°C is ideal to maintain stability, and it should be kept in a chemical storage cabinet to ensure safety and prevent contamination.