2-Amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde

Basic Information

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CAS Number

68301-77-9

Molecular Formula

C10H6ClNO3

Molecular Weight

223.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

290°C(dec.)

SMILES

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C1=CC2=C(C=C1Cl)C(=O)C(=C(O2)N)C=O

InChI

InChI=1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)9(14)7(4-13)10(12)15-8/h1-4H,12H2

InChIKey

GCFVPLUXLQEQJX-UHFFFAOYSA-N

LogP

1.8411

Topological Polar Surface Area

73.30000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

340

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

Synonyms & References

English

2-Amino-6-chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde
SCHEMBL11360521
T71221
2-amino-6-chloro-4-oxo-4h-chromene-3-carbaldehyde
68301-77-9
MFCD00139140
DTXSID90351013
CS-0314621
AKOS005097057
2-Amino-6-chlorochromone-3-carboxaldehyde
Oprea1_307361
FT-0641174
2-azanyl-6-chloranyl-4-oxidanylidene-chromene-3-carbaldehyde
6C-044
2-Amino-6-chloro-3-formylchromone
2-amino-6-chloro-4-oxochromene-3-carbaldehyde
A836091
2-amino-6-chloro-4-oxo-1-benzopyran-3-carboxaldehyde
2-Amino-6-chloro-3-formylchromone, 97%
SBB000628
ZB002336
ST50307537

MDL Number

MFCD00139140

FAQ

What are the physical and chemical properties of 2-Amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde (CAS: 68301-77-9)?

2-Amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde (CAS: 68301-77-9) is a crystalline compound with a molecular weight of approximately 276.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is relatively stable but can react with reducing agents. It is typically used in organic synthesis and has a yellow to orange color in its crystalline form.

How is 2-Amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde (CAS: 68301-77-9) typically synthesized?

2-Amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde (CAS: 68301-77-9) can be synthesized via the reaction of 6-chloro-4-oxo-4H-chromene-3-carbaldehyde with an amine. This involves treating the chromene derivative with an excess of amine under reflux conditions, followed by acidification to obtain the final product. The reaction typically yields 80-90% of the desired compound.

What industries use 2-Amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde (CAS: 68301-77-9)?

2-Amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde (CAS: 68301-77-9) is primarily used in the pharmaceutical and research industries. It serves as a key intermediate in the synthesis of certain drugs and as a building block for developing new chemical entities. Additionally, it finds applications in the production of dyes and pigments, and in the field of analytical chemistry for developing sensors and materials.

What precautions should be taken when handling 2-Amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde (CAS: 68301-77-9)?

When handling 2-Amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde (CAS: 68301-77-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood to minimize inhalation of vapors. Spills should be cleaned up immediately using appropriate absorbent materials and the area should be flushed with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and follow all laboratory safety guidelines.