4-Bromo-2-fluorobenzyl bromide
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4-Bromo-2-fluorobenzyl bromide
structure -
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CAS No:
76283-09-5
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Formula:
C7H5Br2F
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Chemical Name:
4-Bromo-2-fluorobenzyl bromide
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Synonyms:
Benzene,4-bromo-1-(bromomethyl)-2-fluoro-;4-Bromo-1-(bromomethyl)-2-fluorobenzene;2-Fluoro-4-bromobenzyl bromide;4-Bromo-2-fluorobenzyl bromide;α,4-Dibromo-2-fluorotoluene;4-Bromo-1-bromomethyl-2-fluorobenzene;4-Bromo-2-fluoro-(bromomethyl)benzene
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CAS No:
4-Bromo-2-fluorobenzyl bromide Basic Attributes
267.92
267.92
4307676
278-412-7
0Z26XYC1JY
DTXSID1057822
2903999090
Characteristics
0
3.3
White to off-white Low Melting Solid
1.9±0.1 g/cm3
33-36 °C(lit.)
126 °C (19 mmHg)
126°C/9mm
1.583
Store in a cool, dry place. Store in a tightly closed container. Corrosives area.
Safety Information
Ⅲ
8
UN 2923 8/PG 3
2
22-34-52/53-20/21/22
26-36/37/39-45-61
C
Corrosive/Lachrymatory
Stable under normal shipping and handling conditions.
P280-P301 + P310-P305 + P351 + P338-P310
H301-H314
|Danger|H301 (85.11%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2-fluorobenzyl bromide Use and Manufacturing
4-bromo-1-(bromomethyl)-2-fluorobenzene [0268] 1-Bromo-2-fluoro-4-methylbenzene (1 g, 5.04 mmol) was added to the solution after dissolving NBS (1.07 g, 6.05 mmol) and AIBN (83 mg, 0.50 mmol) in CCl4 And the mixture was refluxed at 100 deg C for 13 hours. After the reaction was completed, the reaction mixture was cooled at room temperature, and the resulting solid was filtered. After the extraction with CCl4 and water more than 2 times, the organic layer was dried over anhydrous to remove excess water, then concentrated under reduced pressure 4-Bromo-1- (bromomethyl) -2-fluorobenzene (1.2 g, 4.47 mmol) was obtained in 89percent yieldA mixture of 4-bromo-2-fiuoro-l-methylbenzene (available from Aldrich; 2.0 g, 10.58 mmol), N-bromosuccinimide (1.88 g, 10.58 mmol) and AIBN (87 mg, 0.53 mmol) in CCI4 (30 mL) was heated at reflux under nitrogen for 4 h. The reaction mixture was cooled to room temperature, 5percent aqueous NaThe above compound (7.00 g, 34.1 mmol) was dissolved into 48percent hydrobromic acid (35 mL), and the resultant was caused to react at 100° for 10 minutes. After the end of the reaction, the resultant was neutralized with potassium carbonate. Thereafier, extraction with ethyl acetate was carried out, and this extraction layer was washed with water and a saturated saline solution, then dried over anhydrous magnesium sulfate, and concentrated under a reduced pressure to yield a compound (8.35 g, 91percent). 1H-NMR (CDC13): 4.46 (s, 2H, HnCH2), 7.25-7.29 (m, 3H, Ar).
Used in pharmaceutical synthesis
Computed Properties
Molecular Weight:267.92
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:267.87215
Monoisotopic Mass:265.87420
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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