Ethyl 4,6-dichloro-1H-indole-2-carboxylate

Basic Information

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CAS Number

53995-82-7

Molecular Formula

C11H9Cl2NO2

Molecular Weight

258.1 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

171-172

Boiling Point

405℃ at 760 mmHg

SMILES

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CCOC(=O)C1=CC2=C(N1)C=C(C=C2Cl)Cl

InChI

InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3

InChIKey

YLAHLUPONQVSOT-UHFFFAOYSA-N

LogP

3.6514000000000015

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

275

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

EN300-85655
4,6-dichloro-1h-indole-2-carboxylic acid ethyl ester
AC-9001
AB07295
AMY1755
DS-10621
Q-102090
Ethyl?4,6-dichloro-1H-indole-2-carboxylate
AKOS001476262
ETHYL4,6-DICHLORO-1H-INDOLE-2-CARBOXYLATE
A7846
ETHYL 4,6-DICHLORO-1H-INDOLE
Z425372998
DTXSID10371339
YLAHLUPONQVSOT-UHFFFAOYSA-N
ethyl 4,6-dichloro-1H-indole-2-carboxylate
AB01330205-02
1H-Indole-2-carboxylic acid, 4,6-dichloro-, ethyl ester
4,6-dichloro-indole-2-carboxylic acid, ethyl ester
2-carboethoxy-4,6-dichloroindole
4,6-dichloro-1-ethyl-1H-indole;ETHYL 4,6-DICHLORO-1H-INDOLE-2-CARBOXYLATE
CS-0139911
NCGC00336984-01
ethyl 4,6-dichloroindole-2-carboxylate
53995-82-7
4,6-dichloroindole-2-carboxylic acid ethyl ester
FT-0649146
SCHEMBL1093057
MFCD00800654
ethyl,4,6-dichloroindole-2-carboxylate
Ethyl 4,6-dichloro-1H-indole-2-carboxylate

MDL Number

MFCD00800654

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Ethyl 4,6-dichloro-1H-indole-2-carboxylate (CAS: 53995-82-7)?

Ethyl 4,6-dichloro-1H-indole-2-carboxylate (CAS: 53995-82-7) is a white to off-white crystalline solid with a molecular weight of approximately 275.03 g/mol. It is slightly soluble in water but soluble in organic solvents like methanol and dichloromethane. The compound is chemically reactive, particularly towards nucleophiles and can undergo various chemical transformations such as nucleophilic substitution and ester cleavage.

How is Ethyl 4,6-dichloro-1H-indole-2-carboxylate (CAS: 53995-82-7) typically synthesized?

Ethyl 4,6-dichloro-1H-indole-2-carboxylate (CAS: 53995-82-7) is typically synthesized through a multi-step process involving the condensation of 4,6-dichloro-1H-indole with ethyl chloroformate in the presence of a base like potassium carbonate. The yield is generally good, and the reaction is carried out under mild conditions.

What industries use Ethyl 4,6-dichloro-1H-indole-2-carboxylate (CAS: 53995-82-7)?

Ethyl 4,6-dichloro-1H-indole-2-carboxylate (CAS: 53995-82-7) is used in the pharmaceutical industry for the synthesis of intermediates and drug precursors. It can also be utilized in polymer chemistry for the development of novel materials and in the production of sensors and semiconductors.

What precautions should be taken when handling Ethyl 4,6-dichloro-1H-indole-2-carboxylate (CAS: 53995-82-7)?

When handling Ethyl 4,6-dichloro-1H-indole-2-carboxylate (CAS: 53995-82-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. The compound should be used in a well-ventilated area or a fume hood. Any spills should be cleaned up with care, and the material safety data sheet (MSDS) should be consulted for detailed spill procedures and emergency response guidelines.