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459-46-1

459-46-1 Structure

459-46-1 Structure
IdentificationMore
[Name]

4-Fluorobenzyl bromide
[CAS]

459-46-1
[Synonyms]

1-(BROMOMETHYL)-4-FLUOROBENZENE
4-FLUOROBENZYL BROMIDE
ALPHA-BROMO-4-FLUOROTOLUENE
ALPHA-BROMO-P-FLUOROTOLUENE
P-FLUOROBENZYL BROMIDE
1-(bromomethyl)-4-fluoro-benzen
Benzene, 1-(bromomethyl)-4-fluoro-
Toluene, alpha-bromo-p-fluoro-
4-fluoro(bromomethyl)benzene
1-bromo-3-fluorotoluene
4-Fluorobenzyl Bromide p-Fluorobenzyl Bromide
4-FLUOROBENZYL BROMIDE 98% (GC)
4-Fluorobenzylbromide,97%
à-bromo-4-fluorotoluene
4-Fluorobenzyl bromide 90%
4-FLUOROBBENZYL BROMIDE
A-BROMO-4-FLUOROTOLUENE
α-Bromo-4-fluorotoluene, 1-Bromomethyl-4-fluorobenzene
4-Fluorobenzyl bromide ,98%
4-Fluoro-1-(bromomethyl)benzene
[EINECS(EC#)]

207-291-5
[Molecular Formula]

C7H6BrF
[MDL Number]

MFCD00000359
[Molecular Weight]

189.02
[MOL File]

459-46-1.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless to light yellow liqui
[Boiling point ]

85 °C15 mm Hg(lit.)
[density ]

1.517 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.547(lit.)
[Fp ]

>230 °F
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

soluble in Chloroform
[form ]

Liquid
[color ]

Clear colorless to yellow
[Specific Gravity]

1.517
[Sensitive ]

Lachrymatory
[Detection Methods]

GC
[BRN ]

636507
[InChI]

1S/C7H6BrF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
[InChIKey]

NVNPLEPBDPJYRZ-UHFFFAOYSA-N
[SMILES]

Fc1ccc(CBr)cc1
[CAS DataBase Reference]

459-46-1(CAS DataBase Reference)
[NIST Chemistry Reference]

«alpha»-Bromo-4-fluorotoluene(459-46-1)
[Storage Precautions]

Moisture sensitive
[EPA Substance Registry System]

459-46-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[Hazard Note ]

Corrosive/Lachrymatory
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29039900
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Skin Corr. 1B
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Fluorobenzyl bromide(459-46-1).msds
Questions And AnswerBack Directory
[Chemical Properties]

4-Fluorobenzyl bromide (C7H6BrF, CAS registry No. 459-46-1) is a colorless to light yellow liquid. Its flash point is 74.8 oC. It is stable at room temperature in closed containers under normal storage and handling conditions. 1,3-Difluorobenzene can react with water to form toxic fumes. Therefore, it should be stored in a tightly closed container and should be stored in a cool, dry and well-ventilated area away from incompatible substances.

[Uses]

4-Fluorobenzyl bromide is an important intermediate in organic chemistry. 4-Fluorobenzyl bromide can be used as alkylating reagent to participate in the alkylation reaction with sulfamic esters (R-O-SO2-NH2) in liquid-liquid phase transfer conditions, resulting in the preparation of the N-dialkyled products or the corresponding ethers by scission of the O-SO2 bond, depending on the nature of R.
4-Fluorobenzyl bromide can be used for the synthesis of glycyrrhetinic acid (GA) derivatives, which are slow-binding inhibitors of tyrosinase and have inhibitory effects on melanogenesis.

Spectrum DetailBack Directory
[Spectrum Detail]

4-Fluorobenzyl bromide(459-46-1)MS
4-Fluorobenzyl bromide(459-46-1)1HNMR
4-Fluorobenzyl bromide(459-46-1)IR1
4-Fluorobenzyl bromide(459-46-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Fluorobenzyl bromide, 97%(459-46-1)
[Alfa Aesar]

4-Fluorobenzyl bromide, 97%(459-46-1)
[Sigma Aldrich]

459-46-1(sigmaaldrich)
[TCI AMERICA]

4-Fluorobenzyl Bromide,>97.0%(GC)(459-46-1)
Hazard InformationBack Directory
[Synthesis]

4-Fluorobenzyl alcohol

459-56-3

4-Fluorobenzyl bromide

459-46-1

GENERAL METHOD: Benzyl alcohol (1 mmol) was dissolved in anhydrous benzene (15 mL), phosphorus tribromide (0.5 mL) was added and the reaction was stirred at room temperature. Upon completion of the reaction, the target product 4-fluorobenzyl bromide was obtained in quantitative yield by conventional post-processing steps.

[References]

[1] Journal of Steroid Biochemistry and Molecular Biology, 2013, vol. 137, p. 332 - 344
[2] Bulletin of the Chemical Society of Ethiopia, 2012, vol. 26, # 2, p. 305 - 309
[3] Tetrahedron Letters, 2016, vol. 57, # 22, p. 2430 - 2433
[4] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 8, p. 2989 - 3002
[5] Chem, 2018, vol. 4, # 1, p. 124 - 137
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