Ethyl 1H-indazole-3-carboxylate

Basic Information

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CAS Number

4498-68-4

Molecular Formula

C10H10N2O2

Molecular Weight

190.2 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

Basic Physical Properties

Melting Point

136-138℃

Boiling Point

353.9°C at 760 mmHg

Flash Point

167.8℃

SMILES

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CCOC(=O)C1=NNC2=CC=CC=C21

InChI

InChI=1S/C10H10N2O2/c1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9/h3-6H,2H2,1H3,(H,11,12)

InChIKey

YLKPTYMNELPKOL-UHFFFAOYSA-N

LogP

1.7395999999999998

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

220

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

Ethyl 2H-indazole-3-carboxylate
Indazole-3-carboxylic acid ethyl ester
A7113
NCGC00020832-02
NS00031471
NSC179807
CHEMBL1405110
SCHEMBL959364
4498-68-4
AMY21592
cid_78251
J-521296
Ethyl 1H-indazole-3-carboxylate
ETHYL 3-INDAZOLECARBOXYLATE
YLKPTYMNELPKOL-UHFFFAOYSA-N
ethyl-1h-indazole-3-carboxylate
F6782-3519
AKOS017265664
3-Ethoxycarbonylindazole
NVS5MS5YGC
1H-lndazole-3-carboxylic acid ethyl ester
Ethyl indazole-3-carboxylate
MFCD01138134
DTXSID70196348
BCP26273
NCGC00020832-01
EINECS 224-795-0
Carbamicacid,5-azaspiro[2.4]hept-7-yl-,1,1-dimethylethylester(9CI)
FT-0604097
BDBM42610
AC-7118

MDL Number

MFCD01138134

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Ethyl 1H-indazole-3-carboxylate (CAS: 4498-68-4)?

Ethyl 1H-indazole-3-carboxylate (CAS: 4498-68-4) is subject to various regulatory guidelines, including GHS classification for hazardous chemicals, REACH regulations for the European market, and FDA/EPA requirements for safety and environmental protection. Specific handling and disposal guidelines must be followed to ensure compliance with these regulations.

Are there alternatives to Ethyl 1H-indazole-3-carboxylate (CAS: 4498-68-4) in synthesis?

There are alternative reagents that can be used in synthesis, such as other carboxylate derivatives or different indazole derivatives like Ethyl 2H-indazole-3-carboxylate. These alternatives can provide similar functionality but may have different reactivity and synthesis conditions.

What is the market or research trend for Ethyl 1H-indazole-3-carboxylate (CAS: 4498-68-4)?

The market for Ethyl 1H-indazole-3-carboxylate (CAS: 4498-68-4) is growing due to its applications in pharmaceuticals and material science. Research trends include its use as a building block for drug synthesis and its properties in developing new functional materials. The demand is expected to increase with ongoing research and industrial interest.

How should waste containing Ethyl 1H-indazole-3-carboxylate (CAS: 4498-68-4) be handled?

Waste containing Ethyl 1H-indazole-3-carboxylate (CAS: 4498-68-4) should be collected in appropriate containers and treated as hazardous waste. It is recommended to incinerate or use professional waste disposal services to ensure safe and environmentally friendly disposal. Proper environmental protection measures should be taken to prevent contamination.