2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene

CAS：1030825-20-7
MW:361.272
MF：C18H14BrFS

2-(5-Bromo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene, with the chemical formula C18H14BrFS and CAS registry number 1030825-20-7, is a compound known for its potential applications in various fields. This compound is characterized by its bromine, methyl, fluorine, and thiophene functional groups. It may have potential uses in pharmaceutical research, material science, and organic synthesis. Further studies are needed to explore its specific properties and potential applications. View more+

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

1. Names and Identifiers

1.1 Name: 2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene

1.2 Synonyms: 2-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)thiophene; 2-(5-bromo-2-methyl-benzyl-(5-fluorophenyl)thiophene; 2-[(5-Bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene; Canagliflozin INT4; Canagliflozin intermediate; Canagliflozin Intermediate II; Canagliflozin Intermediate2; Canogliflozin; Thiophene, 2-[(5-broMo-2-Methylphenyl)Methyl]-5-(4-fluorophenyl)-;

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1.3 CAS No.: 1030825-20-7

1.4 CID: 46930432

1.5 EINECS: 1308068-626-2

1.6 Molecular Formula: C18H14BrFS

1.7 Inchi: InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3

1.8 InChkey: VLRIERSBZHUCOW-UHFFFAOYSA-N

1.9 Canonical Smiles: CC1=C(C=C(C=C1)Br)CC2=CC=C(S2)C3=CC=C(C=C3)F

1.10 Isomers Smiles: CC1=C(C=C(C=C1)Br)CC2=CC=C(S2)C3=CC=C(C=C3)F

2. Properties

2.1 Appearance: White to Light yellow powder to crystal

2.2 StorageTemp: Keep in dark place,Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Description

2-(5-Bromo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene is a chemical compound with the CAS number 1030825-20-7. It appears as a solid with a color that is not specified and has no specified odor. The molecular formula of this compound is also not provided. The solubility of 2-(5-Bromo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene in water is not mentioned. Safety information about this compound is not available.

Applicable Fields

There is no information available regarding the applicable fields and purpose of 2-(5-Bromo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene or its mechanism of action.

Storage

The storage conditions for 2-(5-Bromo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene are not provided.

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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 – 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/…if 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 : Predict

1H NMR : Predict

6. Synthesis Route

1030825-20-7Total: 5 Synthesis Route

460-00-4 349 Suppliers

1030825-20-7 159 Suppliers

21900-41-4 6 Suppliers

1030825-20-7 159 Suppliers

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7. Precursor and Product

precursor:

460-00-4

58861-48-6

79669-49-1

1132832-75-7

21900-41-4

product:

898566-17-1

8. Computed Properties

Molecular Weight：361.272g/mol
Molecular Formula：C₁₈H₁₄BrFS
Compound Is Canonicalized：True
Exact Mass：6.4
XLogP3-AA：359.99836
Monoisotopic Mass：359.99836
Complexity：329
Rotatable Bond Count：3
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：28.2
Heavy Atom Count：：21
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：AAADccB4AQBAEAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAGQRAAAABrACAWAgyAYAAAAiEAiBCAAADAIAgCBRIiBgAAKgIICKgERCAIAAggAAoihcAgMAOggAAEAAQAAAEAAAgACAAAAAAAAAAAA==

9. Toltal 150 Suppliers View more

2-[(5-Bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene

Hangzhou Utanpharma biology co,.Ltd

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Tel: Update Time:2024/11/13

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2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene

Baoji Guokang Healthchem co.,ltd

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Tel: Update Time:2024/11/15

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CANGZHOU ENKE PHARMA-TECH CO.,LTD

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Tel: Update Time:2024/11/12

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2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene Cas 1030825-20-7 from China

Hebei Crovell Biotech Co. Ltd

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Tel: Update Time:2024/11/15

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Hangzhou Dingyan Chem Co.,Ltd

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Tel: Update Time:2024/11/15

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10. Related Questions

: How can one synthesize 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl) thiophene? The purpose of this study is to explore the synthesis and application 2- (2- methyl -5- bromine 苄 ) -5- (4- fluorine The method of benzene ) 噻piene hopes to provide new ideas and experimental suppo..

11. Realated Product Infomation