Azasetron Impurity 1

Basic Information

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CAS Number

123040-79-9

Molecular Formula

C10H8ClNO4

Molecular Weight

241.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

241-243 ºC

Boiling Point

556°C at 760 mmHg

SMILES

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CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)O

InChI

InChI=1S/C10H8ClNO4/c1-12-7-3-5(11)2-6(10(14)15)9(7)16-4-8(12)13/h2-3H,4H2,1H3,(H,14,15)

InChIKey

ZTIKBJABRWRXFK-UHFFFAOYSA-N

LogP

1.3934000000000002

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

322

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

Synonyms & References

English

AS-15122
ZTIKBJABRWRXFK-UHFFFAOYSA-N
6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylic acid
AKOS015914530
F21491
MFCD09031399
123040-79-9
6-Chloro-3,4-Dihydro-4-Methyl-3-Oxo-2H-1,4-Benzoxazine-8-Carboxylic Acid
6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid
FT-0702978
SCHEMBL7288619
2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-4-methyl-3-oxo-
6-Chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid
6-Chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid
BCP13858
DTXSID90563851
AC-7759
CS-0151129
6-Chloro-3,4-dihydro-4-methyl-3-oxy-2H-1,4-benzoxazine-8-carboxylic acid
6-Chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylicacid
A890859
2H-1,4-Benzoxazine-8-carboxylicacid,6-chloro-3,4-dihydro-4-methyl-3-oxo
6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid
6chloro3,4dihydro4methyl3oxo2h1,4benzoxanine8carboxylicacid
6CHLORO3,4DIHYDRO4METHYL3OXO2H1,4BENZOXAZINE8CARBOXYLICACID
2H1,4BENZOXANINE8CARBOXYLICACID6CHLORO3,4DIHYDRO4METHYL3OXO
6Chloro3,4dihydro4methyl3oxo2h1,4benzoxazine8aarboxylicacid
Azasetron InterMediate
6-Chloro-3,4-dihydro-4-methyl-
2H-1,4-BENZOXANINE-8-CARBOXYLICACID-6-CHLORO-3,4-DIHYD
6-Chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-aarboxylicacid

MDL Number

MFCD09031399

Customs Code

2934999090

FAQ

What regulatory guidelines apply to Azasetron Impurity 1 (CAS: 123040-79-9)?

Azasetron Impurity 1 (CAS: 123040-79-9) is subject to regulatory guidelines such as REACH in the EU, which requires registration, evaluation, authorization, and restriction of chemical substances. In the US, it must comply with the Toxic Substances Control Act (TSCA) and other relevant FDA and EPA requirements for safety and environmental protection. GHS classification is also important for handling and storage, including proper labeling with hazard warnings and storage precautions.

Are there alternatives to Azasetron Impurity 1 (CAS: 123040-79-9) in synthesis?

In synthesis, alternatives to Azasetron Impurity 1 (CAS: 123040-79-9) may include other azasetron-related impurities or structurally similar compounds that can serve as intermediates. Common substitutes include isomers or analogs with similar functional groups. For instance, 5-hydroxyazasetron or 6-methylazasetron can be used as alternatives depending on the specific synthesis requirements. Care should be taken to ensure these substitutes meet the necessary purity and regulatory standards.

What is the market or research trend for Azasetron Impurity 1 (CAS: 123040-79-9)?

Market and research trends for Azasetron Impurity 1 (CAS: 123040-79-9) are closely linked to its use in the development and production of azasetron drugs, primarily for antiemetic purposes. Research is focused on improving drug efficacy and reducing side effects. Market trends show increasing demand for high-purity impurities that meet stringent regulatory standards, driving innovation in purification techniques and analytical methods. The pharmaceutical industry is also exploring more sustainable and cost-effective synthesis routes.

How should waste containing Azasetron Impurity 1 (CAS: 123040-79-9) be handled?

Waste containing Azasetron Impurity 1 (CAS: 123040-79-9) should be handled according to hazardous waste disposal regulations. Collect waste liquids in appropriate containers, labeled with the correct hazardous waste code. Incineration is a common method for disposal, but professional waste disposal services should be used for large quantities or hazardous waste. Environmental precautions include minimizing contact with waste and ensuring proper containment to prevent leaks or spills. Follow local and federal guidelines for waste management and disposal to ensure compliance with environmental and safety standards.