Sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate

Basic Information

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CAS Number

129-06-6

Molecular Formula

C19H15NaO4

Molecular Weight

331.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

515.2°Cat760mmHg

Density

1.307

Flash Point

188.8°C

Solubility

Methanol

SMILES

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CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]

InChI

InChI=1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1

InChIKey

KYITYFHKDODNCQ-UHFFFAOYSA-M

LogP

3.2288000000000014

Topological Polar Surface Area

67.51 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

508

Safety Information

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Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H360 May damage fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1(a) Class 6.1(a)

Storage Conditions

2-8℃

Toxicity

LD50 in male rats, female rats, mice, rabbits (mg/kg): 323, 58, 374, ~800 orally (Hagen); also reported as LD50 in male, female rats (mg/kg): 100.3, 8.7 orally (Back)

Synonyms & References

English

EINECS 226-909-4
rac-warfarin sodium
Prothromadin
sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-benzopyran-4-olate
CS-W019743
Ratsul soluble
3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt
WARFARIN SODIUM SALT [MI]
DTXCID5015010
PANIVARFIN
CHEBI:10034
Jantoven
DTXSID7035010
129-06-6
Warfarin sodium [USP]
(+-)-Warfarin sodium
BDBM50248297
WARFARINUM NATRICUM [WHO-IP LATIN]
J-005647
Warfarin, sodium deriv.
CHEMBL1200879
EINECS 204-929-4
(RS)-warfarin sodium
Coumadin (TN)
sodium;2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
NC00490
Marevam
NCGC00255556-01
AC-19972
UniWarfin
3-(3-Oxo-1-phenylbutyl)-4-sodiooxy-2H-1-benzopyran-2-one

MDL Number

MFCD00083223

Customs Code

2932209090

FAQ

What is Sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate (CAS: 129-06-6)?

Sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate (CAS: 129-06-6) is a sodium salt of a chromone derivative. Its chemical formula is C15H12O5Na, and it is characterized by its water-soluble nature and use in pharmaceutical research. The compound exhibits stability under standard laboratory conditions and is known for its role in organic synthesis.

What are the main uses of Sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate (CAS: 129-06-6)?

Sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate (CAS: 129-06-6) is primarily used in pharmaceutical research as an intermediate for drug development. It also finds applications in industrial organic synthesis and as a precursor for compounds with antioxidant or anti-inflammatory properties. Researchers utilize it in the creation of bioactive molecules and chemical studies.

Is Sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate (CAS: 129-06-6) safe?

Sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate (CAS: 129-06-6) is generally considered safe when handled properly. It may require standard laboratory safety precautions, such as wearing gloves and goggles, to prevent skin or eye contact. Safety data sheets (SDS) should be consulted for detailed handling guidelines and exposure limits.

How should Sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate (CAS: 129-06-6) be stored?

Sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate (CAS: 129-06-6) should be stored in a cool, dry place away from light. Keep it in airtight, sealed containers to maintain stability and prevent moisture ingress. It is recommended to store it in a chemical storage cabinet to ensure safety and prolong shelf life.