ChemicalBook--->CAS DataBase List--->446-48-0

446-48-0

446-48-0 Structure

446-48-0 Structure
IdentificationMore
[Name]

2-Fluorobenzyl bromide
[CAS]

446-48-0
[Synonyms]

1-(BROMOMETHYL)-2-FLUORO-BENZENE
2-FLUOROBENZYL BROMIDE
ALPHA-BROMO-2-FLUOROTOLUENE
ALPHA-BROMO-O-FLUOROTOLUENE
O-FLUOROBENZYL BROMIDE
Benzene, 1-(bromomethyl)-2-fluoro-
α-Bromo-2-fluorotoluene
2-fluoro(bromomethyl)benzene
2-FLUOROBENZYL BROMIDE 98%
2-Fluorobenzylbromide,98%
à-bromo-2-fluorotoluene
1-Fluoro-2-(bromomethyl)benzene
[EINECS(EC#)]

207-169-1
[Molecular Formula]

C7H6BrF
[MDL Number]

MFCD00000324
[Molecular Weight]

189.02
[MOL File]

446-48-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to slightly yellow liquid
[Boiling point ]

84-85 °C15 mm Hg(lit.)
[density ]

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

n20/D 1.552(lit.)
[Fp ]

181 °F
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[color ]

Clear colorless to slightly yellow
[Specific Gravity]

1.567
[Sensitive ]

Lachrymatory
[Detection Methods]

GC
[BRN ]

1099894
[InChI]

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

FFWQLZFIMNTUCZ-UHFFFAOYSA-N
[SMILES]

C1(CBr)=CC=CC=C1F
[CAS DataBase Reference]

446-48-0(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Fluorobenzyl bromide(446-48-0)
[Storage Precautions]

Moisture sensitive;Store under nitrogen
Questions And AnswerBack Directory
[Synthesis]

Method 1,
Mix 2-fluorotoluene, N-bromosuccinimide, benzoyl peroxide, and chloroform. Purge with argon gas, maintaining a pressure of 2 atmospheres and a temperature of 100°C. Stir for 1.5 hours to obtain a mixture containing 2-fluorobenzyl bromide.
Method 2,

Synthesis of 446-48-0

At 0°C, add CBr4 (31.6 g, 95.2 mmol) in small batches to a DCM solution of (2-fluorophenyl)methanol (Aldrich, 10.0 g, 79.3 mmol) and triphenylphosphine (29.1 g, 111 mmol). Stir the mixture at room temperature for 2 hours.

The solvent was evaporated, and the residue was purified by rapid chromatography (cyclohexane:ethyl acetate 95:5) to give 2-fluorobenzyl bromide (14 g, 93%).
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H314-H335
[Precautionary statements ]

P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
R36/37:Irritating to eyes and respiratory system .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
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
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29039990
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Skin Corr. 1B
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Ethyl 2-fluorophenylacetate-->(2-Fluoro-phenyl)-methanesulfonyl chloride-->2-Bromomethyl-1-fluoro-4-nitrobenzene-->Cyclopropyl 2-fluorobenzyl ketone-->2-Fluoro-DL-phenylalanine-->(2-Fluoro-benzyl)-hydrazine-->1-(2-fluorobenzyl)piperidin-4-ol-->N-Benzyl-2-fluoro-N-MethylbenzylaMine, 97%-->Benzenemethanamine, 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl--->2-Fluorobenzylmethylsulfone-->1-[(2-Fluorophenyl)methyl]-1H-indole-2,3-dione-->Benzene, 2-chloro-1-[(2-fluorophenyl)methoxy]-4-nitro--->2-Fluorobenzylboronic acid pinacol ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Fluorobenzyl bromide(446-48-0).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to slightly yellow liquid
[Uses]

2-Fluorobenzyl bromide was used:
  • in the synthesis of 2-pyrrolo[2,3-d]pyrimidines
  • as alkylating agent during the synthesis of 8-alkylated imidazolo[1,2-a]pyrimid-5-ones
  • in the synthesis of prasugrel
Spectrum DetailBack Directory
[Spectrum Detail]

2-Fluorobenzyl bromide(446-48-0)MS
2-Fluorobenzyl bromide(446-48-0)1HNMR
2-Fluorobenzyl bromide(446-48-0)IR1
2-Fluorobenzyl bromide(446-48-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Fluorobenzyl bromide, 98%(446-48-0)
[Alfa Aesar]

2-Fluorobenzyl bromide, 98%(446-48-0)
[Sigma Aldrich]

446-48-0(sigmaaldrich)
[TCI AMERICA]

2-Fluorobenzyl Bromide,>95.0%(GC)(446-48-0)
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