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| CAS No.: | 27996-87-8 |
|---|---|
| Name: | 2-Fluoro-5-nitrobenzaldehyde |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4FNO3 |
| Molecular Weight: | 169.112 |
| Synonyms: | 5-NITRO-2-FLUOROBENZALDEHYDE;2-FLUORO-5-NITROBENZALDEHYDE;FLUORO NITROBENZALDEHYDE;2-Fluoro-5-Nitrobenzaldehyde 5-Nitro-2-Fluorobenzaldehyde;2-Fluoro-5-nitrobenzaldehyde,97%;4-Fluoro-3-formylnitrobenzene;Benzaldehyde,2-fluoro-5-nitro- |
| EINECS: | -0 |
| Density: | 1.443 g/cm3 |
| Melting Point: | 57-60 °C(lit.) |
| Boiling Point: | 269.7 °C at 760 mmHg |
| Flash Point: | 116.9 °C |
| Solubility: | It is insoluble in water. |
| Appearance: | Beige to light brown crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 62.89000 |
| LogP: | 2.06960 |
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(4-fluoro-3-formylphenyl)boronic acid
- 27996-87-8
2-fluoro-5-nitrobenzaldehye
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 0 - 20℃; for 16h; regioselective reaction; | 100% |
- 446-52-6
2-Fluorobenzaldehyde
- 27996-87-8
2-fluoro-5-nitrobenzaldehye
| Conditions | Yield |
|---|---|
| With trifluoromethylsulfonic anhydride; ethylammonium nitrate at 0 - 30℃; for 4h; Inert atmosphere; regioselective reaction; | 97% |
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 0 - 20℃; for 16h; regioselective reaction; | A 65% B 32% |
- 455-88-9
5-nitro-2-fluorotoluene
- 27996-87-8
2-fluoro-5-nitrobenzaldehye
| Conditions | Yield |
|---|---|
| (i) CrO3, H2SO4, Ac2O, AcOH, (ii) aq. H2SO4, EtOH; Multistep reaction; |
- 6361-21-3
2-chloro-5-nitrobenzaldehyde
B
- 27996-87-8
2-fluoro-5-nitrobenzaldehye
| Conditions | Yield |
|---|---|
| With potassium fluoride In N-methyl-acetamide; water |
- 6361-21-3
2-chloro-5-nitrobenzaldehyde
- 27996-87-8
2-fluoro-5-nitrobenzaldehye
| Conditions | Yield |
|---|---|
| With potassium fluoride In N-methyl-acetamide; water | |
| With potassium fluoride In N,N-dimethyl-formamide at 20 - 160℃; | |
| With potassium fluoride In N,N-dimethyl-formamide at 20 - 160℃; for 1.5h; | |
| With potassium fluoride In N,N-dimethyl-formamide |
- 27996-87-8
2-fluoro-5-nitrobenzaldehye
- 63878-73-9
(2-fluoro-5-nitrophenyl)methanol
| Conditions | Yield |
|---|---|
| 100% | |
| With methanol; sodium tetrahydroborate at 0℃; for 3h; | 99% |
| With methanol; sodium tetrahydroborate at 0 - 20℃; for 1h; | 99.8% |
- 27996-87-8
2-fluoro-5-nitrobenzaldehye
- 15231-41-1
tert-butyl 3-aminopropanoate
- 147290-94-6
tert-butyl N-<(2-fluoro-5-nitrophenyl)methyl>-3-aminopropionate
| Conditions | Yield |
|---|---|
| With sodium acetate; sodium cyanoborohydride In methanol for 2h; Ambient temperature; | 99% |
- 72745-66-5
3-methyl-4-benzyl-2-isoxazolin-5-one
- 27996-87-8
2-fluoro-5-nitrobenzaldehye
| Conditions | Yield |
|---|---|
| Stage #1: 3-methyl-4-benzyl-2-isoxazolin-5-one With sodium In methanol Stage #2: 2-fluoro-5-nitrobenzaldehye In N,N-dimethyl-formamide at 45 - 50℃; for 0.5h; | 99% |
- 29879-44-5
4,5,6,7-tetrahydrobenzo[c]isoxazol-3(3aH)-one
- 27996-87-8
2-fluoro-5-nitrobenzaldehye
| Conditions | Yield |
|---|---|
| Stage #1: 4,5,6,7-tetrahydrobenzo[c]isoxazol-3(3aH)-one With sodium In methanol Stage #2: 2-fluoro-5-nitrobenzaldehye In N,N-dimethyl-formamide at 45 - 50℃; for 5h; | 99% |
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Chemistry
Product Name: Benzaldehyde,2-fluoro-5-nitro- (CAS NO.27996-87-8)
Molecular Formula: C7H4FNO3
Molecular Weight: 169.11g/mol
Mol File: 27996-87-8.mol
Appearance: Beige to light brown crystalline powder
Melting Point: 57-60 °C(lit.)
Sensitive: Air Sensitive
Index of Refraction: 1.59
Molar Refractivity: 39.54 cm3
Molar Volume: 117.1 cm3
Surface Tension: 52.2 dyne/cm
Density: 1.443 g/cm3
Flash Point: 116.9 °C
Enthalpy of Vaporization: 50.79 kJ/mol
Boiling Point: 269.7 °C at 760 mmHg
Vapour Pressure: 0.00713 mmHg at 25°C
XLogP3-AA: 1.3
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Benzaldehyde,2-fluoro-5-nitro- (CAS NO.27996-87-8):
IUPAC Name: 2-fluoro-5-nitrobenzaldehyde
Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=O)F
InChI: InChI=1S/C7H4FNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H
InChIKey: VVXFDFQEIRGULC-UHFFFAOYSA-N
Product Categories: Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde; Miscellaneous; Aldehydes; C7; Carbonyl Compounds
Safety Profile
Safety Information of Benzaldehyde,2-fluoro-5-nitro- (CAS NO.27996-87-8):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: PG3
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
Benzaldehyde,2-fluoro-5-nitro- , its CAS NO. is 27996-87-8, the synonyms are Fluoro Nitrobenzaldehyde ; 2-Fluoro-5-nitrobenzaldehyde .