4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl acetate

Basic Information

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CAS Number

788136-89-0

Molecular Formula

C17H13ClFN3O3

Molecular Weight

361.76 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

471.5°C at 760 mmHg

Density

1.425

Flash Point

471.5 °C at 760 mmHg

Refractive Index

1.649

SMILES

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CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C17H13ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8H,1-2H3,(H,20,21,22)

InChIKey

ANGPUOTYQQFHKN-UHFFFAOYSA-N

LogP

4.099800000000002

Topological Polar Surface Area

73.34 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

472

Safety Information

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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

Synonyms & References

English

6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, 6-acetate
FT-0651491
BCP12912
4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate
A839500
6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, acetate (ester)
[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate
788136-89-0
4-(3-Chloro-4-fluorophenylamino)-6-acetoxy-7-methoxyquinazoline hydrochloride
AM20090609
AKOS015888738
6-acetoxy-4-(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazoline
CS-0155022
6-Acetoxy-4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazoline
4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-ylacetate
4-(3-Chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl acetate
R3EQ3HZ35P
4-((3-chloro-4-fluorophenyl)amino)-7-methoxy-6-quinazolinol 6-acetate
Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate; 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate
DTXSID40610743
SCHEMBL3328655
ANGPUOTYQQFHKN-UHFFFAOYSA-N
4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate
[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl] acetate;4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate
DS-18364
4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol 6-acetate
6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-,6-acetate
6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, 6-acetate
C17H13ClFN3O3
zlchem 555
6-Acetoxy-4-(3-chloro-4-fluoroanilino)-7-methoxyquinazoline hydrochloride

MDL Number

MFCD11618121

Customs Code

2933990090

FAQ

What is 4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl acetate (CAS: 788136-89-0)?

4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl acetate is an organic compound with the CAS number 788136-89-0. It is a derivative of quinazoline with a specific functional group and substituents. This compound is characterized by its molecular structure and chemical properties, which include solubility, reactivity, and potential biological activity.

What are the main uses of 4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl acetate (CAS: 788136-89-0)?

The compound 4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl acetate (CAS: 788136-89-0) is primarily used in pharmaceutical research and development. It may serve as a precursor or intermediate in the synthesis of drugs with potential antibacterial or antiviral properties. It can also be used in academic research for studying the structure-activity relationship in quinazoline derivatives.

Is 4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl acetate (CAS: 788136-89-0) safe?

The safety of 4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl acetate (CAS: 788136-89-0) depends on the context of use. It is generally safe when handled with appropriate precautions, such as wearing protective gloves and eyewear. However, it should be stored away from heat, open flames, and direct sunlight to minimize the risk of decomposition or reaction. It is crucial to follow all safety guidelines provided by the manufacturer.

How should 4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl acetate (CAS: 788136-89-0) be stored?

4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl acetate (CAS: 788136-89-0) should be stored in a cool, dry place away from heat, open flames, and direct sunlight. It should be kept in a tightly sealed container to prevent moisture and contamination. Optimal storage conditions include temperatures below 25°C and a relative humidity of less than 60%. Proper labeling and secure storage are essential to ensure safety and efficacy.