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5-Bromoindole

CAS：10075-50-0
MW:196.04394
MF：C8H6BrN

5-Bromoindole, with the chemical formula C8H6BrN and CAS registry number 10075-50-0, is a compound known for its applications in various fields. This white to light yellow crystalline powder is characterized by its bromine and indole functional groups. It is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and organic materials. 5-Bromoindole is also used as a reagent in organic chemistry reactions, offering a versatile platform for the introduction of bromine and indole moieties into different molecules. It is important to note that the information provided here is based on the latest available data and may be subject to change as new research and discoveries are made.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 5-Bromoindole

1.2 Synonyms: 1H-Indole, 5-bromo-; 5-BI; 5-Br-indole; 5-Bromide indole; 5-Bromindole; 5-BROMO INDOLE; 5-BROMO-1H-INDOLE; 5-broMo-2H-indole; 5-bromo-indole; 5-bromonindole; 5-indolyl bromide; Bromoindole; EINECS 233-208-7; MFCD00005670;

1.3 CAS No.: 10075-50-0

1.4 CID: 24905

1.5 EINECS: 233-208-7

1.6 Molecular Formula: C8H6BrN

1.7 Inchi: InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

1.8 InChkey: VXWVFZFZYXOBTA-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC2=C(C=CN2)C=C1Br

1.10 Isomers Smiles: C1=CC2=C(C=CN2)C=C1Br

2. Properties

2.1 Solubility: 126mg/l (calculated)

2.2 Appearance: White Crystalline Powder

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: white to light brown powder or chunks

2.5 Color/Form: Pale-yellow to Yellow-brown Solid

2.6 pKa: 16.04±0.30(Predicted)

2.7 Water Solubility: 126mg/l (calculated)

2.8 Stability: Stable under normal temperatures and pressures.

2.9 StorageTemp: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C

3. Use and Manufacturing

3.1 Description

5-Bromoindole, with the chemical formula C8H6BrN, has the CAS number 10075-50-0. It appears as a white to off-white crystalline powder with a faint odor. The basic structure of 5-Bromoindole consists of a bromine atom attached to an indole ring. This compound is sparingly soluble in water. Safety information regarding 5-Bromoindole is not available.

Applicable Fields

Pharmaceuticals: 5-Bromoindole is commonly used in the synthesis of various pharmaceutical compounds. Its purpose in this field involves its ability to serve as a building block for the creation of complex molecules. The mechanism of action in pharmaceutical synthesis involves the incorporation of 5-Bromoindole into the desired chemical structure.

Chemical Research: 5-Bromoindole is also utilized in chemical research and development. Its purpose in this field involves its ability to act as a starting material for the synthesis of new compounds. The mechanism of action in chemical research involves the manipulation and modification of the 5-Bromoindole molecule to create novel chemical entities.

Storage

Conditions: Store in a cool and dry place.

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3.2 Purification Methods: Purify it by steam distillation from a faintly alkaline solution. Cool the aqueous distillate, collect the solid, dry it in a vacuum desiccator over P2O5 and recrystallise it from aqueous EtOH (35% EtOH) or pet ether/Et2O. UV in MeOH has at 279, 287 and 296nm (log 3.70, 3.69 and 3.53). The picrate has m 137-138o(dec) (from max Et2O/pet ether). [UV: Thesing et al. Chem Ber 95 2205 1962, UV and NMR: Lallemand & Bernath Bull Soc Chim Fr 4091 1970, Beilstein 20/7 V 36.] 5-Bromoindole Preparation Products And Raw materials Preparation Products

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3.3 Usage: A potential inhibitor of GSK-3

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. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

IR : KBr disc

IR : nujol mull

Mass

6. Synthesis Route

10075-50-0Total: 30 Synthesis Route

877-03-2 72 Suppliers

10075-50-0 485 Suppliers

496-15-1 179 Suppliers

10075-50-0 485 Suppliers

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7. Precursor and Product

precursor:

496-15-1

22190-33-6

4284-50-8

7254-19-5

88131-63-9

26807-69-2

120-72-9

96546-77-9

106-40-1

877-03-2

product:

6146-52-7

830-96-6

87-48-9

5192-03-0

774-14-1

61-54-1

5794-88-7

4692-98-2

6548-09-0

877-03-2

8. Computed Properties

Molecular Weight：196.04394g/mol
Molecular Formula：C₈H₆BrN
Compound Is Canonicalized：True
XLogP3-AA：194.96836
Monoisotopic Mass：194.96836
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：AAADcYByAAAAEAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHABQAAABrAjBHgQ8wPLJkACgAzRnRACCgCAxAiQI2aA4ZLgIIOLAkZGEIAhgkADIyhcQgIAOAAAgEAACAAAAAEAgAAQAAAAAAAAAAA==

9.Other Information

BRN: 112877

Chemical Properties: white to light brown powder or chunks

Uses: A potential inhibitor of GSK-3

Purification Methods: Purify it by steam distillation from a faintly alkaline solution. Cool the aqueous distillate, collect the solid, dry it in a vacuum desiccator over P2O5 and recrystallise it from aqueous EtOH (35% EtOH) or pet ether/Et2O. UV in MeOH has at 279, 287 and 296nm (log 3.70, 3.69 and 3.53). The picrate has m 137-138o(dec) (from max Et2O/pet ether). [UV: Thesing et al. Chem Ber 95 2205 1962, UV and NMR: Lallemand & Bernath Bull Soc Chim Fr 4091 1970, Beilstein 20/7 V 36.]

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10. Toltal 461 Suppliers View more

Wuhan BJM Pharm Inc.

^1YR

Tel: Update Time:2024/10/29

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5-Bromoindole Factory Supplier Manufacturer

Wuhan Circle Star Chem-medical Technology Co.,Ltd

^1YR

Tel: Update Time:2024/11/15

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High Quality Factory direct supply 5-Bromoindole 10075-50-0 with reasonable price and fast delivery

Tianjin Furun Tongda International Trade Co., LTD

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Tel: Update Time:2024/11/15

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Hangzhou Dingyan Chem Co.,Ltd

^1YR

Tel: Update Time:2024/11/15

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Wuhan Fortuna Chemical Co., Ltd.

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Tel: Update Time:2024/08/08

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11. Related Questions

: How is 5-Bromoindole prepared and used in organic synthesis and drug development?5-Bromoindole is a halogenated indole compound with rich chemical reactivity. It can be prepared from 5-bromoindole through an oxidation reaction. 5-Bromoindole is mainly used as a raw material for th..; What are the key requirements for configuring the pharmaceutical environment for 5-Bromoindole?5-Bromoindole is a commonly used compound with wide applications in the pharmaceutical field. When configuring the pharmaceutical environment for 5-Bromoindole, there are some important requirements t..; What is 5-Bromoindole and its Applications?5-Bromoindole, also known as 5-Bromoindole, is a white or off-white solid at room temperature and pressure. It has a distinct indole-like odor and is insoluble in water but soluble in common organic s..

12. Realated Product Infomation