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| CAS No.: | 113211-94-2 |
|---|---|
| Name: | 2,3-Difluorobenzyl bromide |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5BrF2 |
| Molecular Weight: | 207.018 |
| Synonyms: | 1-Bromomethyl-2,3-difluorobenzene;a-Bromo-2,3-difluorotoluene; |
| Density: | 1.625 g/cm3 |
| Boiling Point: | 190.5 °C at 760 mmHg |
| Flash Point: | 69 °C |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 34-36/37/38 |
| Safety: | 26-36/37/39-45-25-36/37 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.85970 |
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- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- 75853-18-8
(2,3-difluoro-phenyl)-methanol
- 113211-94-2
2,3-difluorobenzyl bromide
| Conditions | Yield |
|---|---|
| With phosphorus tribromide In toluene at 100℃; for 1h; | 61% |
| With phosphorus tribromide In diethyl ether at -10℃; for 1.25h; | 20 g |
- 4519-39-5
2,3-difluorobenzoic acid
- 113211-94-2
2,3-difluorobenzyl bromide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 40 percent / B2H6 / tetrahydrofuran / 1.5 h 2: 61 percent / PBr3 / toluene / 1 h / 100 °C View Scheme |
- 2646-91-5
2,3-difluorobenzaldehyde
- 113211-94-2
2,3-difluorobenzyl bromide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: methanol; sodium tetrahydroborate / 1 h / 0 - 50 °C 2: phosphorus tribromide / diethyl ether / 1.25 h / -10 °C View Scheme |
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 18h; | 96% |
- 1074-82-4
potassium phtalimide
- 113211-94-2
2,3-difluorobenzyl bromide
- 923845-93-6
2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxyisoindoline-1,3-dione
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 120℃; for 2.5h; | 92% |
- 113211-94-2
2,3-difluorobenzyl bromide
- 1068-90-2
2-acetylaminomalonic acid diethyl ester
- 266360-43-4
2-acetylamino-2-(2,3-difluoro-benzyl)-malonic acid diethyl ester
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol for 2h; Alkylation; Heating; | 90% |
- 113211-94-2
2,3-difluorobenzyl bromide
| Conditions | Yield |
|---|---|
| Stage #1: 3-[4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl]-1H-pyrazole With sodium hydride In DMF (N,N-dimethyl-formamide) at 20℃; for 3h; Stage #2: 2,3-difluorobenzyl bromide In DMF (N,N-dimethyl-formamide) at 20℃; for 16h; | A 90% B n/a |
- 113211-94-2
2,3-difluorobenzyl bromide
| Conditions | Yield |
|---|---|
| Stage #1: 3-(4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl)-1H-pyrazole With sodium hydride In N,N-dimethyl-formamide at 20℃; for 3h; Stage #2: 2,3-difluorobenzyl bromide In N,N-dimethyl-formamide at 20℃; for 16h; | A 90% B n/a |
- 784189-75-9
3-[4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl]-1H-pyrazole
- 113211-94-2
2,3-difluorobenzyl bromide
| Conditions | Yield |
|---|---|
| Stage #1: 3-[4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl]-1H-pyrazole With sodium hydride In N,N-dimethyl-formamide at 20℃; for 3h; Stage #2: 2,3-difluorobenzyl bromide In N,N-dimethyl-formamide at 20℃; for 16h; | A 90% B n/a |
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran Hass-Bender/Henry reaction; | A 89% B n/a |
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Chemistry
Product Name: 2,3-Difluorobenzyl bromide (CAS NO.113211-94-2)
Molecular Formula: C7H5BrF2
Molecular Weight: 207.02g/mol
Mol File: 113211-94-2.mol
Boiling point: 190.5 °C at 760 mmHg
Flash Point: 69 °C
Density: 1.625 g/cm3
Refractive index: n20/D 1.528(lit.)
Sensitive: Lachrymatory
Index of Refraction: 1.522
Molar Refractivity: 38.88 cm3
Molar Volume: 127.3 cm3
Surface Tension: 35.3 dyne/cm
Enthalpy of Vaporization: 40.93 kJ/mol
Vapour Pressure: 0.747 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 2,3-Difluorobenzyl bromide (CAS NO.113211-94-2):
IUPAC Name: 1-(bromomethyl)-2,3-difluorobenzene
Canonical SMILES: C1=CC(=C(C(=C1)F)F)CBr
InChI: InChI=1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKey: FTBSGSZZESQDBM-UHFFFAOYSA-N
Product Categories: Fluoro-contained benzyl bromide series; Aromatic compound; Miscellaneous; Benzenes
Safety Profile
Safety Information of 2,3-Difluorobenzyl bromide (CAS NO.113211-94-2):
Hazard Codes: C
,Xi
Risk Statements: 34-36/37/38
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45-25-36/37
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.)
S25:Avoid contact with eyes.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 3265 8/PG
WGK Germany: 3
F: 10-19-21
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8
PackingGroup: III
Specification
2,3-Difluorobenzyl bromide , its CAS NO. is 113211-94-2, the synonym is alpha-Bromo-2,3-difluorotoluene .