5-(Benzyloxy)-2-bromobenzotrifluoride

Modify Date: 2026-07-01 17:35:53

5-(Benzyloxy)-2-bromobenzotrifluoride Structure
5-(Benzyloxy)-2-bromobenzotrifluoride structure
Common Name 5-(Benzyloxy)-2-bromobenzotrifluoride
CAS Number 678164-30-2 Molecular Weight 331.12800
Density N/A Boiling Point N/A
Molecular Formula C14H10BrF3O Melting Point N/A
MSDS N/A Flash Point N/A

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 5-(Benzyloxy)-2-bromobenzotrifluoride
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Molecular Formula C14H10BrF3O
Molecular Weight 331.12800
Exact Mass 329.98700
PSA 9.23000
LogP 5.04690
InChIKey OIXYWYPMKGUGIM-UHFFFAOYSA-N
SMILES FC(F)(F)c1cc(OCc2ccccc2)ccc1Br

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 5-(Benzyloxy)-2-bromobenzotrifluoride
Synonyms:4-(Benzyloxy)-1-bromo-2-(trifluoromethyl)benzene

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:5-(Benzyloxy)-2-bromobenzotrifluoride
CAS number:678164-30-2

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C14H10BrF3O
Molecular weight:331.1

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride, hydrogen bromide.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

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5-(Benzyloxy)-2-bromobenzotrifluoride Structure

5-(Benzyloxy)-2...

CAS#:678164-30-2

Learn More
Literature: F. Hoffmann-La Roche AG Patent: WO2004/31162 A1, 2004 ; Location in patent: Page 65-66 ; WO 2004/031162 A1

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  1

DownStream  0

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

1-bromo-4-phenylmethoxy-2-(trifluoromethyl)benzene

 5-(Benzyloxy)-2-bromobenzotrifluoride | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of 5-(Benzyloxy)-2-bromobenzotrifluoride?
A: SMILES notation of 5-(Benzyloxy)-2-bromobenzotrifluoride is FC(F)(F)c1cc(OCc2ccccc2)ccc1Br.
Q: What is the LogP of 5-(Benzyloxy)-2-bromobenzotrifluoride?
A: LogP of 5-(Benzyloxy)-2-bromobenzotrifluoride is 5.04690.
Q: What English synonyms does 5-(Benzyloxy)-2-bromobenzotrifluoride have?
A: English synonyms of 5-(Benzyloxy)-2-bromobenzotrifluoride: 1-bromo-4-phenylmethoxy-2-(trifluoromethyl)benzene.
Q: What is the InChIKey of 5-(Benzyloxy)-2-bromobenzotrifluoride?
A: InChIKey of 5-(Benzyloxy)-2-bromobenzotrifluoride is OIXYWYPMKGUGIM-UHFFFAOYSA-N.
Q: What is the CAS number of 5-(Benzyloxy)-2-bromobenzotrifluoride?
A: CAS number of 5-(Benzyloxy)-2-bromobenzotrifluoride is 678164-30-2.
Q: What are the upstream materials of 5-(Benzyloxy)-2-bromobenzotrifluoride?
A: Related upstream materials(CAS) of 5-(Benzyloxy)-2-bromobenzotrifluoride: 70097-64-2.
Q: What is the molecular weight of 5-(Benzyloxy)-2-bromobenzotrifluoride?
A: Molecular weight of 5-(Benzyloxy)-2-bromobenzotrifluoride is 331.12800.
Q: What is the polar surface area (PSA) of 5-(Benzyloxy)-2-bromobenzotrifluoride?
A: Polar surface area (PSA) of 5-(Benzyloxy)-2-bromobenzotrifluoride is 9.23000.
Q: What is the molecular formula of 5-(Benzyloxy)-2-bromobenzotrifluoride?
A: Molecular formula of 5-(Benzyloxy)-2-bromobenzotrifluoride is C14H10BrF3O.
Q: What is the English name of 5-(Benzyloxy)-2-bromobenzotrifluoride?
A: The English name of 5-(Benzyloxy)-2-bromobenzotrifluoride is 5-(Benzyloxy)-2-bromobenzotrifluoride.

 5-(Benzyloxy)-2-bromobenzotrifluoridefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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