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5551-12-2

Basic Information
CAS No.: 5551-12-2
Name: Benzaldehyde,4-bromo-2-nitro-
Article Data: 31
Cas Database
Molecular Structure:
Molecular Structure of 5551-12-2 (Benzaldehyde,4-bromo-2-nitro-)
Formula: C7H4 Br N O3
Molecular Weight: 230.018
Synonyms: 2-Nitro-4-bromobenzaldehyde;4-Bromo-2-nitrobenzaldehyde
EINECS: N/A
Density: 1.781g/cm3
Melting Point: 95.0 to 99.0 °C
Boiling Point: 334.4°Cat760mmHg
Flash Point: 156.1°C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: 22-36/37/38-43-50
Safety:
Transport Information: N/A
PSA: 62.89000
LogP: 2.69300
Synthetic route
135308-80-4

4-bromo-2-nitrobenzylidene diethanoate

5551-12-2

4-bromo-2-nitrobenzaldehyde

Conditions
ConditionsYield
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
ConditionsYield
With manganese(IV) oxide In dichloromethane at 20℃; for 12h;78%

1-[(E)-2-(4-bromo-2-nitrophenyl)vinyl]pyrrolidine

5551-12-2

4-bromo-2-nitrobenzaldehyde

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium hydrogencarbonate; dimethyl sulfoxide at 80℃; for 12h;68%
552-89-6

2-nitro-benzaldehyde

5551-12-2

4-bromo-2-nitrobenzaldehyde

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

G

3,6-dibromo-2-nitrobenzaldehyde

Conditions
ConditionsYield
With N-Bromosuccinimide; sulfuric acid at 25℃; for 3h;A 8%
B 20%
C 9%
D 8%
E 14%
F 12%
G 13%
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Chemistry

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