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| CAS No.: | 76283-09-5 |
|---|---|
| Name: | 4-Bromo-2-fluorobenzyl bromide |
| Article Data: | 9 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5Br2F |
| Molecular Weight: | 267.923 |
| Synonyms: | 4-Bromo-1-(bromomethyl)-2-fluorobenzene;4-bromo-1-(bromomethyl)-2-fluoro-benzene;4-Bromo 2-fluorobenzylbromide;2-Fluoro-bromobenzyl bromide;4-Bromo-2-fluorobenzylbromide;3,4-difluoro benzyl bromide;2-Fluoro-4-bromobenzyl bromide;2-fluoro-4-bromo Benzyl bromide;4-bromo-2-fluorobromobenzene; |
| EINECS: | 278-412-7 |
| Density: | 1.923 g/cm3 |
| Melting Point: | 33-36 °C(lit.) |
| Boiling Point: | 254.1 °C at 760 mmHg |
| Flash Point: | 107.5 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34-52/53-20/21/22 |
| Safety: | 26-36/37/39-45-61 |
| Transport Information: | UN 2923 8/PG 3 |
| PSA: | 0.00000 |
| LogP: | 3.48310 |
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 188582-62-9
4-bromo-2-fluorobenzyl alcohol
- 76283-09-5
4-bromo-2-fluorobenzyl bromide
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 100℃; for 0.166667h; | 91% |
- 51436-99-8
2-fluoro-4-bromotoluene
- 76283-09-5
4-bromo-2-fluorobenzyl bromide
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane at 100℃; for 13h; | 89% |
| With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane at 100℃; for 13h; | 89% |
| With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane for 4h; Reflux; Inert atmosphere; | 53% |
- 57848-46-1
4-bromo-2-fluorobenzaldehyde
- 76283-09-5
4-bromo-2-fluorobenzyl bromide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium tetrahydroborate / methanol / 0.5 h / 20 °C 2: hydrogen bromide / 0.17 h / 100 °C View Scheme |
- 773837-37-9
sodium cyanide
- 76283-09-5
4-bromo-2-fluorobenzyl bromide
- 114897-91-5
(4-bromo-2-fluorophenyl)acetonitrile
| Conditions | Yield |
|---|---|
| In ethanol; water at 100℃; for 8.5h; | 100% |
| In DMF (N,N-dimethyl-formamide); water at 70℃; for 1h; | 99% |
| In ethanol at 60℃; for 12h; Solvent; Temperature; Inert atmosphere; | 99% |
- 76283-09-5
4-bromo-2-fluorobenzyl bromide
- 124-40-3
dimethyl amine
- 1159976-88-1
N,N-dimethyl-4-bromo-2-fluorobenzylamine
| Conditions | Yield |
|---|---|
| With potassium carbonate In water at 0 - 20℃; for 0.166667h; | 100% |
- 19438-10-9
methyl 3-hydroxybenzoate
- 76283-09-5
4-bromo-2-fluorobenzyl bromide
| Conditions | Yield |
|---|---|
| Stage #1: methyl 3-hydroxybenzoate With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 4-bromo-2-fluorobenzyl bromide In N,N-dimethyl-formamide at 20℃; | 99% |
| Stage #1: methyl 3-hydroxybenzoate With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 4-bromo-2-fluorobenzyl bromide In N,N-dimethyl-formamide at 80℃; |
- 143-33-9
sodium cyanide
- 76283-09-5
4-bromo-2-fluorobenzyl bromide
- 114897-91-5
(4-bromo-2-fluorophenyl)acetonitrile
| Conditions | Yield |
|---|---|
| In water; N,N-dimethyl-formamide at 70℃; for 1h; | 99% |
| In dimethyl sulfoxide at 20℃; for 4h; | 96% |
| In DMF (N,N-dimethyl-formamide); water at 70℃; for 3h; | 46% |
| In water; N,N-dimethyl-formamide at 70℃; for 1h; |
- 4857-06-1
2-chloro-1H-benzoimidazole
- 76283-09-5
4-bromo-2-fluorobenzyl bromide
- 388574-68-3
1-(4-bromo-2-fluoro-benzyl)-2-chloro-1H-benzoimidazole
| Conditions | Yield |
|---|---|
| Stage #1: 2-chloro-1H-benzoimidazole With sodium hydride In N,N-dimethyl-formamide Stage #2: 4-bromo-2-fluorobenzyl bromide In N,N-dimethyl-formamide at 20℃; Further stages.; | 97% |
- 112733-45-6
ethyl 2-(7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazoline-1-yl)acetate
- 76283-09-5
4-bromo-2-fluorobenzyl bromide
- 112733-28-5
ethyl 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazoline-1-yl)acetate
| Conditions | Yield |
|---|---|
| With potassium carbonate; acetic acid In methanol; water; acetone | 97% |
| With potassium carbonate In methanol; acetic acid; acetone | 96% |
| With potassium carbonate In acetone at 20℃; for 5h; Reflux; Large scale; | 95.1% |
| With potassium carbonate; acetic acid In methanol; water; acetone |
- 616-45-5
2-pyrrolidinon
- 76283-09-5
4-bromo-2-fluorobenzyl bromide
- 1022931-60-7
1-[(4-bromo-2-fluorophenyl)methyl]-2-pyrrolidinone
| Conditions | Yield |
|---|---|
| Stage #1: 2-pyrrolidinon With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: 4-bromo-2-fluorobenzyl bromide In N,N-dimethyl-formamide at 20℃; | 97% |
| Stage #1: 2-pyrrolidinon With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: 4-bromo-2-fluorobenzyl bromide In N,N-dimethyl-formamide at 20℃; | 85% |
| Stage #1: 2-pyrrolidinon With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.25h; Inert atmosphere; Stage #2: 4-bromo-2-fluorobenzyl bromide In N,N-dimethyl-formamide; mineral oil at 20℃; for 5h; | 85% |
| Stage #1: 2-pyrrolidinon With sodium hydride In N,N-dimethyl-formamide; mineral oil for 0.5h; Inert atmosphere; Stage #2: 4-bromo-2-fluorobenzyl bromide In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Inert atmosphere; | 82% |
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Chemistry
Molecule structure of 4-Bromo-2-fluorobenzyl bromide (CAS NO.76283-09-5):
IUPAC Name: 4-Bromo-1-(bromomethyl)-2-fluorobenzene
Molecular Weight: 267.921003 g/mol
Molecular Formula: C7H5Br2F
Density: 1.923 g/cm3
Melting Point: 33-36 °C(lit.)
Boiling Point: 254.1 °C at 760 mmHg
Flash Point: 107.5 °C
Index of Refraction: 1.583
Molar Refractivity: 46.58 cm3
Molar Volume: 139.3 cm3
Surface Tension: 41.6 dyne/cm
Enthalpy of Vaporization: 47.17 kJ/mol
Vapour Pressure: 0.0281 mmHg at 25 °C
Sensitive: lachrymatory
XLogP3-AA: 3.3
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 267.872157
MonoIsotopic Mass: 265.874204
Canonical SMILES: C1=CC(=C(C=C1Br)F)CBr
InChI: InChI=1S/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey: XMHNLZXYPAULDF-UHFFFAOYSA-N
EINECS: 278-412-7
Product Categories: Fluoro-contained benzyl bromide series; Aromatic Halides (substituted)
Uses
4-Bromo-2-fluorobenzyl bromide (CAS NO.76283-09-5) is used in pharmaceutical synthesis.
Safety Profile
Hazard Codes: 
C
Risk Statements: 22-34-52/53-20/21/22
R22:Harmful if swallowed.
R34:Causes burns.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-45-61
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 the label whenever possible.)
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 2923 8/PG 3
WGK Germany: 2
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8
PackingGroup: III
Specification
4-Bromo-2-fluorobenzyl bromide (CAS NO.76283-09-5) is also named as 4,alpha-Dibromo-2-fluorotoluene ; 4-Brom-1-(brommethyl)-2-fluorbenzol [German] ; 4-Bromo-1-(bromomethyl)-2-fluorobenzene ; Benzene, 4-bromo-1-(bromomethyl)-2-fluoro- ; 2-Fluoro-4-bromo-benzylbromide . 4-Bromo-2-fluorobenzyl bromide (CAS NO.76283-09-5) is white to light yellow crystal powder.