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Cas Database |
| Name |
4-Bromo-2-nitrobenzaldehyde |
EINECS | N/A |
| CAS No. | 5551-12-2 | Density | 1.781g/cm3 |
| PSA | 62.89000 | LogP | 2.69300 |
| Solubility | N/A | Melting Point |
95.0 to 99.0 °C |
| Formula | C7H4 Br N O3 | Boiling Point | 334.4°Cat760mmHg |
| Molecular Weight | 230.018 | Flash Point | 156.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22-36/37/38-43-50 | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Nitro-4-bromobenzaldehyde;4-Bromo-2-nitrobenzaldehyde |
Article Data | 31 |
4-Bromo-2-nitrobenzaldehyde Synthetic route
- 135308-80-4
4-bromo-2-nitrobenzylidene diethanoate
- 5551-12-2
4-bromo-2-nitrobenzaldehyde
| Conditions | Yield |
|---|---|
| With sulfuric acid In ethanol for 1.5h; Heating; | 93% |
| With sulfuric acid | |
| With sulfuric acid In ethanol | |
| With hydrogenchloride In ethanol; water for 0.75h; Reflux; | |
| With hydrogenchloride; water In ethanol for 0.75h; Reflux; |
- 22996-19-6
(4-bromo-2-nitrophenyl)methanol
- 5551-12-2
4-bromo-2-nitrobenzaldehyde
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide In dichloromethane at 20℃; for 12h; | 78% |
- 5551-12-2
4-bromo-2-nitrobenzaldehyde
| Conditions | Yield |
|---|---|
| With sodium periodate In tetrahydrofuran; water at 0 - 25℃; for 18h; | 74% |
| With sodium periodate In tetrahydrofuran; water for 2h; | 9.58 g |
| With sodium periodate In tetrahydrofuran; water at 0℃; for 15h; |
- 3460-18-2
1,4-dibromo-2-nitrobenzene
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 5551-12-2
4-bromo-2-nitrobenzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 1,4-dibromo-2-nitrobenzene With phenyllithium In tetrahydrofuran Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78 - 0℃; Stage #3: With sulfuric acid In water at 0℃; | 71% |
| With phenyllithium 1) THF, benzene, ether, 25 min, -105 deg C, 2) 0.5 h, -78 deg C; Yield given. Multistep reaction; | |
| Stage #1: 1,4-dibromo-2-nitrobenzene With phenyllithium In tetrahydrofuran at -105℃; for 0.5h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -105 - -20℃; |
- 82420-34-6
4-bromo-1-(bromomethyl)-2-nitrobenzene
- 5551-12-2
4-bromo-2-nitrobenzaldehyde
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate; dimethyl sulfoxide at 80℃; for 12h; | 68% |
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; sulfuric acid at 25℃; for 3h; | 60% |
- 60956-26-5
4-bromo-2-nitrotoluene
- 5551-12-2
4-bromo-2-nitrobenzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 4-bromo-2-nitrotoluene With chromium(VI) oxide; sulfuric acid; acetic anhydride at 0 - 10℃; for 1h; Stage #2: With sodium carbonate In water Stage #3: With hydrogenchloride; water In ethanol for 0.75h; | 45% |
| Multi-step reaction with 2 steps 1: dimethylformamide / 18 h / 120 °C 2: NaIO4 / tetrahydrofuran; H2O / 2 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: pyrrolidine / Heating 2: sodium periodate / H2O; dimethylformamide / 20 °C View Scheme |
- 552-89-6
2-nitro-benzaldehyde
A
- 5551-12-2
4-bromo-2-nitrobenzaldehyde
B
- 56990-05-7
4,5-dibromo-2-nitrobenzaldehyde
C
- 20357-20-4
5-bromo-2-nitrobenzaldehyde
D
- 20357-21-5
2-bromo-6-nitrobenzaldehyde
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; sulfuric acid at 25℃; for 3h; | A 19% B 1% C 12% D 24% |
- 552-89-6
2-nitro-benzaldehyde
A
- 5551-12-2
4-bromo-2-nitrobenzaldehyde
B
- 56990-05-7
4,5-dibromo-2-nitrobenzaldehyde
C
- 20357-20-4
5-bromo-2-nitrobenzaldehyde
D
- 20357-21-5
2-bromo-6-nitrobenzaldehyde
E
- 1559060-83-1
3,4-dibromo-2-nitrobenzaldehyde
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; sulfuric acid at 25℃; for 3h; | A 21% B 1% C 9% D 20% E 5% |
- 552-89-6
2-nitro-benzaldehyde
A
- 882772-99-8
3-bromo-2-nitrobenzaldehyde
B
- 5551-12-2
4-bromo-2-nitrobenzaldehyde
C
- 56990-05-7
4,5-dibromo-2-nitrobenzaldehyde
D
- 20357-20-4
5-bromo-2-nitrobenzaldehyde
E
- 20357-21-5
2-bromo-6-nitrobenzaldehyde
F
- 1559060-83-1
3,4-dibromo-2-nitrobenzaldehyde
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; sulfuric acid at 25℃; for 3h; | A 8% B 20% C 9% D 8% E 14% F 12% G 13% |
4-Bromo-2-nitrobenzaldehyde Chemical Properties
Molecule structure of 4-Bromo-2-nitrobenzaldehyde (CAS NO.5551-12-2) :
IUPAC Name: 4-bromo-2-nitrobenzaldehyde
Molecular Weight: 230.01556 g/mol
Molecular Formula: C7H4BrNO3
Density: 1.781 g/cm3
Boiling Point: 334.4 °C at 760 mmHg
Flash Point: 156.1 °C
Molar Volume: 129.1 cm3
Polarizability: 18.72*10-24 cm3
Surface Tension: 59.2 dyne/cm
Enthalpy of Vaporization: 57.74 kJ/mol
Vapour Pressure: 0.000128 mmHg at 25 °C
XLogP3: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 228.937456
MonoIsotopic Mass: 228.937456
Topological Polar Surface Area: 60.2
Heavy Atom Count: 12
Complexity: 192
Canonical SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])C=O
InChI: InChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
InChIKey: GSXUXSXBEUJRAJ-UHFFFAOYSA-N
Product Categories of 4-Bromo-2-nitrobenzaldehyde (CAS NO.5551-12-2) : Aromatic Aldehydes & Derivatives (substituted); Heterocyclic Compounds
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