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CAS No.: | 875-51-4 |
---|---|
Name: | 4-Bromo-2-nitroaniline |
Article Data: | 92 |
Molecular Structure: | |
Formula: | C6H5BrN2O2 |
Molecular Weight: | 217.022 |
Synonyms: | 4-Bromo-o-nitroaniline;Benzenamine, 4-bromo-2-nitro-;p-Bromo-o-nitroaniline;4-bromo-2-nitro-aniline;4-Bromo-2-nitrobenzeneamine;Aniline, 4-bromo-2-nitro-;2-Nitro-4-bromoaniline;3-12-00-01670 (Beilstein Handbook Reference);4-Bromo-2-nitrobenzenamine;4-bromo-2-nitroaniline (IM OCS); |
Density: | 1.812 g/cm3 |
Melting Point: | 110-113 °C(lit.) |
Boiling Point: | 308.7 °C at 760 mmHg |
Flash Point: | 140.5 °C |
Appearance: | yellow |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-36/37/38-43-20/21/22 |
Safety: | 26-36/37/39 |
PSA: | 71.84000 |
LogP: | 3.04390 |
Conditions | Yield |
---|---|
With hydrogen bromide; dihydrogen peroxide In methanol at 0 - 20℃; for 12h; | 99% |
With HMTAB In dichloromethane at 20℃; for 0.5h; | 98% |
With 1-butyl-3-methylpyridinium tribromide at 20℃; | 98% |
4-Bromo-2-nitroaniline
Conditions | Yield |
---|---|
With potassium carbonate; dimethyl sulfoxide; thiophenol In acetonitrile at 100℃; for 24h; | 96% |
4-Bromo-2-nitroaniline
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 90℃; for 8h; | 92% |
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol at 80℃; for 12h; | 86% |
With hydrogenchloride In tetrahydrofuran Heating; | 77% |
With hydrogenchloride |
Conditions | Yield |
---|---|
With dihydrogen peroxide; potassium bromide In water; acetonitrile | A 15% B 82% |
With dihydrogen peroxide; potassium bromide; HZSM-5 In acetic acid at 20℃; for 4h; Bromination; | A 15% B 77% |
With N-Bromosuccinimide; acetic acid at 34.84 - 89.84℃; for 5.5h; | A 6.81 g B 74% |
With dihydrogen peroxide; ammonium bromide; acetic acid at 20℃; for 4h; | |
Stage #1: 2-nitro-aniline With dihydrogen peroxide; acetic acid; potassium bromide In water at 20℃; for 3h; Stage #2: With sodium hydrogencarbonate In diethyl ether; water regioselective reaction; |
Conditions | Yield |
---|---|
With 4-nitro-4-methyl-2,3,5,6-tetrabromo-2,5-cyclohexadien-1-one In trifluoroacetic acid for 3h; Ambient temperature; | 70% |
With nitric acid; acetic acid | |
Multi-step reaction with 3 steps 1: Diazotization.Zersetzung des Diazoniumperbromids mit Alkohol 2: beim Nitrieren 3: alcohol; ammonia / 200 - 210 °C View Scheme | |
Multi-step reaction with 3 steps 1: triethylamine / dichloromethane 2: nitric acid; acetic anhydride / dichloromethane 3: hydrogenchloride / water / Reflux View Scheme | |
Multi-step reaction with 3 steps 1: pyridine / tetrahydrofuran / 16 h / 20 °C / Cooling with ice 2: nitric acid; copper(II) nitrate hydrate; oxygen / acetonitrile; water / 4 h / 50 °C / 760.05 Torr 3: potassium carbonate; dimethyl sulfoxide; thiophenol / acetonitrile / 24 h / 100 °C View Scheme |
4-Bromo-2-nitroaniline
Conditions | Yield |
---|---|
Stage #1: N-(4-bromo-2-nitrophenyl) pyrimidin-2-amine With triethylsilane; trifluoroacetic acid at 50℃; Inert atmosphere; Stage #2: With acetic acid; hydrazine In methanol at 20℃; Inert atmosphere; regioselective reaction; | 68% |
4’-methoxy-2-nitroazobenzene
A
4-Bromo-2-nitroaniline
B
2,4-dibromo-6-nitroaniline
C
2-nitro-aniline
Conditions | Yield |
---|---|
With hydrogen bromide In acetic acid for 1h; Heating; | A 51% B 10% C 22% |
2-(4-bromophenyl)isoindoline-1,3-dione
A
4-Bromo-2-nitroaniline
B
4-bromo-3-nitroaniline
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid Erhitzen des Reaktionsprodukts mit 90prozentig.wss.Schwefelsaeure auf 130grad; |
Conditions | Yield |
---|---|
With ammonia; ethylene glycol at 120 - 130℃; | |
With ethanol; ammonia at 200 - 210℃; |
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Molecular structure of 4-Bromo-2-nitroaniline (CAS NO.875-51-4) is:
Product Name: 4-Bromo-2-nitroaniline
CAS Registry Number: 875-51-4
IUPAC Name: 4-bromo-2-nitroaniline
Molecular Weight: 217.0201 [g/mol]
Molecular Formula: C6H5BrN2O2
XLogP3: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Melting Point: 110-113 °C(lit.)
Surface Tension: 64.3 dyne/cm
Density: 1.812 g/cm3
Flash Point: 140.5 °C
Enthalpy of Vaporization: 54.94 kJ/mol
Boiling Point: 308.7 °C at 760 mmHg
Vapour Pressure: 0.00067 mmHg at 25°C
Product Categories: Amines and Anilines;Anilines, Aromatic Amines and Nitro Compounds;Amines;Phenyls & Phenyl-Het;Anilines, Amides & Amines;Bromine Compounds;Nitro Compounds;Phenyls & Phenyl-Het;C2 to C6;Nitrogen Compounds
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD | oral | > 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 12, 1953. |
Safty information about 4-Bromo-2-nitroaniline (CAS NO.875-51-4) is:
Hazard Codes: Xn,Xi
Risk Statements: 22-36/37/38-43-20/21/22
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R43:May cause sensitization by skin contact.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39
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.
WGK Germany: 3
RTECS: BW9370000
Hazard Note: Irritant
HazardClass: IRRITANT, IRRITANT-HARMFUL
4-Bromo-2-nitroaniline , its cas register number is 875-51-4. It also can be called 2-Nitro-4-bromoaniline ; 4-Bromo-2-nitrobenzeneamine ; 4-Bromo-o-nitroaniline ; Aniline, 4-bromo-2-nitro- ; Benzenamine, 4-bromo-2-nitro- ; p-Bromo-o-nitroaniline ; Aniline, 4-bromo-2-nitro- ; Benzenamine, 4-bromo-2-nitro- .