- 591-20-83-Bromophenol
- 59121-84-5Trichothec-9-ene-3,4,7,15-tetrol,12,13-epoxy-, 4,15-diacetate, (3a,4b,7a)- (9CI)
- 591-21-9Cyclohexane,1,3-dimethyl-
- 591-22-0Pyridine, 3,5-dimethyl-
- 59122-46-2Prost-13-en-1-oic acid,11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (11a,13E)-(?à)-
- 59122-55-3b-D-Glucopyranoside, dodecyl
- 591-23-1Cyclohexanol, 3-methyl-
- 59123-41-0Cyclooctanol, 1-methyl-
- 591234-14-95-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBALDEHYDE
- 591234-45-61(3H)-Isobenzofuranone-1-11C
Hot Products
- 10101-97-0Nickel sulfate hexahydrate
- 9048-46-8Albumins, serum
- 127-06-0Acetone oxime
- 2916-68-92-(Trimethylsilyl)ethanol
- 6104-59-2Acid Blue 83
- 102-65-8Benzenesulfonamide,4-amino-N-(6-chloro-2-pyrazinyl)-
- 74536-44-0Metadoxine
- 625-36-5Propanoylchloride, 3-chloro-
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
3-Bromoaniline |
EINECS | 209-704-4 |
| CAS No. | 591-19-5 | Density | 1.594 g/cm3 |
| PSA | 26.02000 | LogP | 2.61250 |
| Solubility | insoluble in water | Melting Point |
16.8 °C |
| Formula | C6H6BrN | Boiling Point | 251 °C at 760 mmHg |
| Molecular Weight | 172.024 | Flash Point | 101.2 °C |
| Transport Information | UN 2810 6.1/PG 2 | Appearance | Colourless Liquid |
| Safety | 28-36/37/39-45-26 | Risk Codes | 23/24/25-33-38-36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 T,  Xn,  Xi
|
| Synonyms |
Aniline,m-bromo- (8CI);(3-Bromophenyl)amine;(m-Bromophenyl)amine;1-Amino-3-bromobenzene;3-Amino-1-bromobenzene;3-Bromobenzenamine;m-Aminobromobenzene; |
Article Data | 165 |
3-Bromoaniline Synthetic route
| Conditions | Yield |
|---|---|
| With hydrazine In ethanol at 80℃; for 0.333333h; Catalytic behavior; chemoselective reaction; | 99.5% |
| With hydrogen In water at 120℃; under 15001.5 Torr; for 5h; Green chemistry; chemoselective reaction; | 99% |
| With sodium tetrahydroborate In methanol at 25℃; for 1h; Sealed tube; | 98% |
| Conditions | Yield |
|---|---|
| With copper(l) iodide; ascorbic acid In ammonia at 25℃; for 18h; liquid NH3; | 99% |
| With copper(I) oxide; ammonium hydroxide; C17H14N2O3; potassium hydroxide In ethanol at 60℃; for 24h; Schlenk technique; Inert atmosphere; | 93% |
| With iron(III) oxide; sodium hydroxide; copper(l) iodide; ammonia In ethanol; water at 90℃; for 16h; | 89% |
| With acetamidine hydrochloride; caesium carbonate In N,N-dimethyl-formamide at 130℃; for 20h; Inert atmosphere; Green chemistry; | 72% |
- 25216-74-4
tert-butyl (3-bromophenyl)carbamate
- 591-19-5
3-bromoaniline
| Conditions | Yield |
|---|---|
| With molecular sieve; boron trifluoride diethyl etherate In dichloromethane Ambient temperature; | 98% |
- 63213-03-6, 15426-17-2
1,2-bis(3-bromophenyl)diazene
- 591-19-5
3-bromoaniline
| Conditions | Yield |
|---|---|
| With potassium hydroxide; nickel-incorporated hexagonal mesoporous aluminophosphate In isopropyl alcohol at 82.84℃; for 1.5h; | 90% |
| With potassium hydroxide; isopropyl alcohol; molecular sieve at 82.84℃; for 3h; | 85 % Chromat. |
| Conditions | Yield |
|---|---|
| Stage #1: 3-bromoacetanilide With Schwartz's reagent In tetrahydrofuran at 20℃; for 0.05h; Inert atmosphere; Stage #2: With water In tetrahydrofuran Inert atmosphere; | 90% |
- 591-19-5
3-bromoaniline
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 190℃; for 3h; | 78% |
| Conditions | Yield |
|---|---|
| With methanol; O-benzenesulfonyl-acetohydroxamic acid ethyl ester; toluene-4-sulfonic acid for 24h; Inert atmosphere; Reflux; | 78% |
- 22726-00-7
3-bromobenzamide
- 591-19-5
3-bromoaniline
| Conditions | Yield |
|---|---|
| With sodium hydroxide; benzyltrimethylazanium tribroman-2-uide In water for 1h; Ambient temperature; | 76% |
| With potassium hypobromite at 70 - 75℃; | |
| Multi-step reaction with 2 steps 1: alkaline aqueous sodium hypobromite solution 2: aqueous NaOH-solution View Scheme |
- 111762-31-3
3-bromophenyl magnesium bromide
- 591-19-5
3-bromoaniline
| Conditions | Yield |
|---|---|
| Stage #1: 3-bromophenyl magnesium bromide With zinc(II) chloride In tetrahydrofuran at -3℃; for 0.0833333h; Stage #2: With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone In tetrahydrofuran at 20℃; for 3h; Stage #3: With hydrogenchloride In tetrahydrofuran at 20℃; for 4h; | 70% |
| Conditions | Yield |
|---|---|
| With methanesulfonic acid; trimethylsilylazide In tetrachloromethane at 80℃; for 4h; | 70% |
3-Bromoaniline Chemical Properties
.jpg)
IUPAC Name: 3-Bromoaniline
Molecular Formula: C6H6BrN
Molecular Weight: 172.02 g/mol
Canonical SMILES: c1c(cccc1Br)N
InChI: InChI=1/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
EINECS: 209-704-4
Product Categories: Anilines, Aromatic Amines and Nitro Compounds; Amines; Phenyls & Phenyl-Het; Aromatics Compounds; Anilines, Amides & Amines; Bromine Compounds; Aromatics;Phenyls & Phenyl-Het; C2 to C6; Nitrogen Compounds
Water Solubility: insoluble
XLogP3: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 1
Index of Refraction: 1.625
Molar Refractivity: 38.17 cm3
Molar Volume: 107.8 cm3
Polarizability: 15.13×10-24 cm3
Surface Tension: 47.7 dyne/cm
Density: 1.594 g/cm3
Flash Point: 101.2 °C
Enthalpy of Vaporization: 48.83 kJ/mol
Boiling Point: 251 °C at 760 mmHg
Melting Point: 16.8 °C
Water Solubility: 968 mg/L at 25 °C
Henry's Law Constant: 7.59E-07 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant: 6.78E-11 cm3/molecule-sec at 25 °C
Vapour Pressure of 3-Bromoaniline (CAS NO.591-19-5): 0.021 mmHg at 25 °C
3-Bromoaniline Uses
3-Bromoaniline (CAS NO.591-19-5) is used as organic synthesis intermediates.
3-Bromoaniline Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | intraperitoneal | 140mg/kg (140mg/kg) | Toxicologist. Vol. 14, Pg. 66, 1994. |
3-Bromoaniline Safety Profile
Hazard Codes: 
T, 
Xi, 
Xn
Risk Statements: 23/24/25-33-38-36/37/38-20/21/22
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R33: Danger of cumulative effects.
R38: Irritating to skin.
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 28-36/37/39-45-26
S28: After contact with skin, wash immediately with plenty of soap-suds.
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.)
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 2810 6.1/PG
WGK Germany: 3
Hazard Note: Harmful/Irritant
HazardClass: 6.1
PackingGroup of 3-Bromoaniline (CAS NO.591-19-5): III
3-Bromoaniline Specification
3-Bromoaniline (CAS NO.591-19-5), its Synonyms are 3-Bromobenzenamine ; Aniline, m-bromo- ; m-Aminobromobenzene ; m-Bromoaniline ; Aniline, m-bromo- (8CI) ; Benzenamine, 3-bromo- . It is colourless liquid.
What can I do for you?
Get Best Price
