3D Mol Similar

7-Chloroindole

: Iupac Name：7-chloro-1H-indole; CAS No.: 53924-05-3; Molecular Weight：151.593; Modify Date.: 2022-11-24 09:13; Introduction:
Beige-yellowish powder
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1. Names and Identifiers

: 1.1 Name; 7-Chloroindole; 1.2 Synonyms; 1H-Indole, 7-chloro- 1H-Indole,7-chloro-(9CI) 7-CHLORO-1H-INDOLE 7-CHLOROINDAZOLE 7-chloroindole 53924-05-3 EINECS 258-865-7 MFCD07368214 RARECHEM AH BS 0085 TIMTEC-BB SBB004058; View all

1.3 CAS No.: 53924-05-3

1.4 CID: 104644

1.5 EINECS(EC#): 258-865-7

1.6 Molecular Formula: C8H6ClN (isomer)

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

1.8 InChIkey: WMYQAKANKREQLM-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC2=C(C(=C1)Cl)NC=C2

1.10 Isomers Smiles: C1=CC2=C(C(=C1)Cl)NC=C2

2. Properties

2.1 Density: 1.331

2.1 Melting point: 55-58℃

2.1 Boiling point: 90-95℃ (0.25 mmHg)

2.1 Refractive index: 1.688

2.1 Flash Point: 158.9oC

2.1 Precise Quality: 151.01900

2.1 PSA: 15.79000

2.1 logP: 2.82130

2.1 Appearance: White to off-white crystalline powder.

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: Beige-yellowish powder 7-ChloroindoleSupplier

2.4 Color/Form: White to Yellow Solid

2.5 pKa: 15.42±0.30(Predicted)

2.6 Water Solubility: Soluble in ethanol and acetic acid

2.7 StorageTemp: Keep in dark place,Inert atmosphere,Room temperature

3. Safety and Handling

3.1 Symbol: GHS07

3.1 Hazard Codes: Xi

3.1 Signal Word: Warning

3.1 Risk Statements: R36/37/38

3.1 Safety Statements: S26;S36

3.1 Hazard Class: IRRITANT

3.1 Hazard Declaration: H315-H319-H335

3.1 RIDADR: NONH for all modes of transport

3.1 Caution Statement: P261-P305 + P351 + P338

3.1 WGK Germany: 3

3.1 Safety: Hazard Codes:?Xi
Risk Statements: 36/37/38?
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT?

3.2 Specification: ?7-Chloroindole?(CAS NO.53924-05-3) is also called as?7-Chloroindazole ; 1H-indole,7-chloro-(9ci) ; 7-Chloroindole,98% .

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Synthesis Route

53924-05-3Total: 20 Synthesis Route

496-15-1 183 Suppliers

53924-05-3 160 Suppliers

Literatures:
Chemical and Pharmaceutical Bulletin, , vol. 54, # 6 p. 788 - 794
Yield: null

2861-59-8 8 Suppliers

53924-05-3 160 Suppliers

Literatures:
Chemical and Pharmaceutical Bulletin, , vol. 54, # 6 p. 788 - 794
Yield: null

43142-64-9 1 Suppliers

53924-05-3 160 Suppliers

Literatures:
Journal of the Chemical Society, , p. 3499,3502
Yield: null

View all

6. Precursor and Product

precursor:

104682-95-3

4637-24-5

18159-32-5

1826-67-1

16078-30-1

28899-75-4

88-73-3

43142-70-7

176097-78-2

496-15-1

95-51-2

5367-26-0

642494-37-9

102-71-6

43142-64-9

114144-23-9

910808-40-1

2861-59-8

10449-07-7

114144-22-8

105896-40-0

127-17-3

View all

product :

1004558-41-1

1912-41-0

865712-53-4

153-97-9

78225-46-4

3804-16-8

6960-42-5

86153-24-4

41340-34-5

1008-07-7

114144-22-8

221377-37-3

7. Other Information

7.0 BRN: 114743

7.1 Chemical Properties: Beige-yellowish powder

7.2 Uses: 7-Chloroindole may be used in the preparation of 1-methyl-7-chloroindole and glycosylated 7-chloroindole-3-acetamide.

8. Computational chemical data

Molecular Weight: 151.593g/mol
Molecular Formula: C₈H₆ClN
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 151.0188769
Monoisotopic Mass: 151.0188769
Complexity: 126
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 15.8
Heavy Atom Count: 10
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYByAAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAIQAAAADArBHiQ8wPLJkACgAzRnRACCgCAxByAI2aA4ZpgIIOLBk5HEIAhgkADIyAcQgIAOAAAAIAACABAAAABAAAQAIAAAAAAAAA==

9. Question & Answer

What is the background and overview of 7-Chloroindole? Mar 17 2021
7-Chloroindole is a type of 7-halogenated indole, which is an important class of indole compounds. It has strong biological and pharmacological activities, and many natural or synthetic drugs as well ..

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7-chloroindole