Sulforaphane | CAS No. 4478-93-7

Sulforaphane

Basic Information

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CAS Number

4478-93-7

Molecular Formula

C6H11NOS2

Molecular Weight

177.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Physical State

White powder

Melting Point

208°C

Boiling Point

368.2℃ at 760mmHg

Density

1.1700

Flash Point

176.5°C

Solubility

DMSO: 40 mg/mL, soluble

SMILES

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S=C=NCCCCS(=O)C

InChI

InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3

InChIKey

SUVMJBTUFCVSAD-UHFFFAOYSA-N

LogP

1.2479

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

152

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Synonyms & References

English

DL-Sulforaphane
1-Isothiocyanato-4-methylsulfinylbutane
Sulforaphane
SULFORAPHANE, D-(RG) PrintBack
SULFORAPHANE, DL-(AS) PrintBack
BroccoliExtract
1-Isothiocyanato-4-(methylsulfinyl)-butane
Sucrose in water
Sulforaphane,BroccoPhane,Detoxophane

MDL Number

MFCD00198068

Customs Code

2930909090

FAQ

What is Sulforaphane (CAS: 4478-93-7)?

Sulforaphane is a naturally occurring isothiocyanate compound found in cruciferous vegetables like broccoli. Its chemical formula is C17H17NO4S2, and it is known for its potent bioactive properties, including antioxidant and anti-inflammatory effects. Sulforaphane is widely studied for its potential health benefits and applications in pharmaceutical research.

What are the main uses of Sulforaphane (CAS: 4478-93-7)?

Sulforaphane is primarily used in pharmaceutical research for its anticancer, neuroprotective, and cardiovascular benefits. It is also incorporated into dietary supplements and functional foods to support health. Additionally, it serves as a key compound in studies related to detoxification and metabolic health due to its unique chemical structure and biological activity.

Is Sulforaphane (CAS: 4478-93-7) safe?

Sulforaphane is generally considered safe when consumed in moderate amounts through food or supplements. However, high concentrations may cause gastrointestinal discomfort or toxicity. Proper handling precautions, such as wearing gloves and avoiding inhalation, are recommended. Safety standards for its use in research and industrial settings are established to ensure minimal risk.

How should Sulforaphane (CAS: 4478-93-7) be stored?

Sulforaphane should be stored in a cool, dry place away from light to maintain stability. It is best kept in airtight, dark-colored containers at temperatures between 2-8°C. Avoid exposure to moisture and air to prevent degradation, as its chemical structure is sensitive to environmental factors.