4-Chloro-1H-indole

Basic Information

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CAS Number

25235-85-2

Molecular Formula

C8H6ClN

Molecular Weight

151.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Liquid

Melting Point

128-130℃/4mmHg

Boiling Point

150°C/13mmHg

Solubility

ethanol: soluble50mg/mL, clear, colorless

Refractive Index

n20/D 1.628(lit.)

SMILES

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C1=CC2=C(C=CN2)C(=C1)Cl

InChI

InChI=1S/C8H6ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H

InChIKey

SVLZRCRXNHITBY-UHFFFAOYSA-N

LogP

2.821300000000001

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

126

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Stability

Store in Refrigerator

Sensitiveness

sensitive to light and air

Synonyms & References

English

4-Chloroindole, 98%
4-chloro-indole
4-Chloro-1H-indole #
1H-Indole, 4-chloro-
AB00468
SVLZRCRXNHITBY-UHFFFAOYSA-
Indole, 4-chloro-
FT-0601222
CS-W001970
1H-Indole,4-chloro;4-Chloro-1H-indole
SY005775
Z1203162552
AC-19923
FS-1434
MFCD00005665
DTXSID30179894
FT-0664732
136669-25-5
1H-Indole, 4-chloro-,conjugate acid (1:1)
4-Chloroindole
A15419
SCHEMBL73057
NSC88141
FT-0618216
4-Chloro-1H-indole
FT-0659669
A807108
AM20050288
NS00027838
EINECS 246-747-8
NSC-88141

MDL Number

MFCD00005665

Customs Code

2933990090

FAQ

What is 4-Chloro-1H-indole (CAS: 25235-85-2)?

4-Chloro-1H-indole is an aromatic compound with the chemical formula C12H9ClN. It has a molecular weight of approximately 197.60 g/mol and a melting point of 125-127°C. This compound is a derivative of indole with a chlorine atom substituting for a hydrogen atom at the 4 position.

What are the main uses of 4-Chloro-1H-indole (CAS: 25235-85-2)?

4-Chloro-1H-indole is primarily used as a precursor in the synthesis of various indole-based pharmaceuticals and agrochemicals. It is also utilized in organic synthesis for the development of new compounds with potential biological activities.

Is 4-Chloro-1H-indole (CAS: 25235-85-2) safe?

4-Chloro-1H-indole is considered stable under normal conditions but requires proper handling. It is classified as a moderately hazardous substance due to its potential skin and respiratory irritation. Protective measures include wearing gloves and a lab coat, ensuring good ventilation, and avoiding contact with skin and eyes. Storage should be in a cool, dry place, away from direct sunlight and heat sources.

How should 4-Chloro-1H-indole (CAS: 25235-85-2) be stored?

4-Chloro-1H-indole should be stored in a cool, dry place with a temperature not exceeding 25°C. It should be kept away from direct sunlight and heat sources to maintain stability. The compound should be stored in a tightly closed container to prevent exposure to air and moisture. Proper labeling is essential to ensure safe handling and storage conditions are followed.