4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one

Basic Information

View in Editor

CAS Number

152-72-7

Molecular Formula

C19H15NO6

Molecular Weight

353.3 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

Melting Point

195.0 to 199.0 deg-C

Boiling Point

486.76°C (rough estimate)

Flash Point

284.6°C

Solubility

DMSO, heptane and xylene: ≥17mg/mL

Refractive Index

1.5000 (estimate)

SMILES

View in Editor

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

InChI

InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3

InChIKey

VABCILAOYCMVPS-UHFFFAOYSA-N

LogP

log Kow = 1.98

Complexity

614

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 orally in mice, rats: 1470, 1000 mg/kg (Leroux, Jamain)

Synonyms & References

English

Prestwick2_000110
Sintrom
Acenocoumarin
Acenocumarolo [DCIT]
Sincoumar
Sinthrome
CAS-152-72-7
3-(a-acetonyl-p-nitrobenzyl)-4-hydroxycoumarin
VABCILAOYCMVPS-UHFFFAOYSA-N
G-23,350
SMR000162652
SCHEMBL1477562
Tox21_110430
3-(.ALPHA.-ACETONYL-P-NITROBENZYL)-4-HYDROXYCOUMARIN
HMS3713F17
Neositron
Acenocoumarol, >=98% (HPLC)
Acenocoumarol (INN)
Acenocumarolo
FT-0660959
Acitrom
AB00527557-09
G23350
Tox21_110430_1
4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one
I6WP63U32H
3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin
4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-chromen-2-one
HMS2095E22
2-Acetamido-1,2,5-Trideoxy-1,5-Imino-D-Glucitol
NSC 760052

MDL Number

MFCD00137816

Customs Code

2932209090

FAQ

What is 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one (CAS: 152-72-7)?

4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one is a chromone derivative with the CAS number 152-72-7. It is a yellow solid with a molecular formula of C21H14N2O4. This compound has UV-visible absorption properties and is used in various applications such as pharmaceuticals and research.

What are the main uses of 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one (CAS: 152-72-7)?

4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one is primarily used as a research tool in the pharmaceutical industry for the synthesis of drugs. It also serves as a component in certain analytical reagents and is used in the development of novel materials in chemical research.

Is 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one (CAS: 152-72-7) safe?

4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one is generally safe when handled with appropriate precautions. It is important to avoid skin contact and inhalation. Use gloves and ensure good ventilation during handling. Store in a cool, dry place away from direct sunlight.

How should 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one (CAS: 152-72-7) be stored?

4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one should be stored in a cool, dry place, protected from light and moisture. Store in a tightly sealed container to prevent degradation. Maintain a temperature between 15-25°C and keep away from sources of heat and direct sunlight.