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Cas Database |
| Name |
Benzenamine, 2-bromo-6-chloro- |
EINECS | N/A |
| CAS No. | 59772-49-5 | Density | 1.722 g/cm3 |
| PSA | 26.02000 | LogP | 3.26590 |
| Solubility | N/A | Melting Point |
57-58 °C(Solv: water (7732-18-5); ethanol (64-17-5)) |
| Formula | C6H5BrClN | Boiling Point | 242.8 °C at 760 mmHg |
| Molecular Weight | 206.469 | Flash Point | 100.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Bromo-6-chloroaniline;2-Bromo-6-chlorobenzenamine; |
Article Data | 8 |
Benzenamine, 2-bromo-6-chloro- Synthetic route
- 93224-85-2
2-bromo-6-chlorobenzoic acid
- 59772-49-5
2-Chloro-6-bromoaniline
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-6-chlorobenzoic acid With sulfuric acid at 60℃; for 1.5h; Stage #2: With sodium azide at 20℃; for 42h; Schmidt rearrangement; Stage #3: With ammonium hydroxide at 0℃; | 92% |
- 59772-49-5
2-Chloro-6-bromoaniline
| Conditions | Yield |
|---|---|
| With sulfuric acid at 150℃; for 2h; Temperature; | 85% |
- 90493-87-1
2'-Chloro-6'-bromobenzanilide
- 59772-49-5
2-Chloro-6-bromoaniline
| Conditions | Yield |
|---|---|
| With sulfuric acid for 3h; Heating; | 66% |
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide; 1-(3,5-bis(trifluoromethyl)phenyl)-3-((1S,2S)-2-(mesitylselanyl)-2,3-dihydro-1H-inden-1-yl)thiourea In chloroform-d1 at 0℃; for 18h; regioselective reaction; | A 40% B n/a |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; ammonium bromide; acetic acid at 20℃; for 2.5h; | |
| Stage #1: o-chloroaniline With dihydrogen peroxide; acetic acid; potassium bromide In water at 20℃; for 3h; Stage #2: With sodium hydrogencarbonate In diethyl ether; water regioselective reaction; |
- 35758-75-9
N-(2-bromophenyl)hydroxylamine
- 59772-49-5
2-Chloro-6-bromoaniline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: NaHCO3 / diethyl ether; H2O / 1 h / T < 5 deg C; or in benzene 2: 71 percent / SOCl2 / diethyl ether / 1 h / T < 5 deg C 3: 66 percent / 70percent H2SO4 / 3 h / Heating View Scheme |
- 90493-81-5
N-(2-Bromo-phenyl)-N-hydroxy-benzamide
- 59772-49-5
2-Chloro-6-bromoaniline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 71 percent / SOCl2 / diethyl ether / 1 h / T < 5 deg C 2: 66 percent / 70percent H2SO4 / 3 h / Heating View Scheme |
- 95-51-2
2-Chloroaniline
A
- 59772-49-5
2-Chloro-6-bromoaniline
B
- 874-18-0
2-chloro-4,6-dibromoaniline
C
- 38762-41-3
2-chloro-4-bromoaniline
| Conditions | Yield |
|---|---|
| With bromine at 20 - 25℃; for 0.0333333h; pH=8.5 - 9; aq. buffer; |
- 63-74-1
sulfanilamide
- 59772-49-5
2-Chloro-6-bromoaniline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: N-chloro-succinimide / tetrahydrofuran / 25 h / 40 °C 2: N-Bromosuccinimide / acetonitrile / 3 h / 20 °C 3: sulfuric acid / 2 h / 150 °C View Scheme |
- 59772-49-5
2-Chloro-6-bromoaniline
- 59772-48-4
1-bromo-3-chloro-2-nitrobenzene
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid In 1,2-dichloro-ethane at 70℃; for 2h; | 94% |
| With trifluoroacetyl peroxide In dichloromethane at -5 - 5℃; for 2h; | 75% |
Benzenamine, 2-bromo-6-chloro- Specification
The Benzenamine, 2-bromo-6-chloro-, with the CAS registry number of 59772-49-5, is also known as 2-Bromo-6-chlorobenzenamine. This chemical's molecular formula is C6H5BrClN and molecular weight is 206.4676. What's more, its systematic name is called 2-Bromo-6-chloroaniline.
Physical properties about Benzenamine, 2-bromo-6-chloro- are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 137.73; (6)ACD/BCF (pH 7.4): 137.73; (7)ACD/KOC (pH 5.5): 1182.27; (8)ACD/KOC (pH 7.4): 1182.29; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 43.07 cm3; (15)Molar Volume: 119.8 cm3; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.722 g/cm3; (18)Flash Point: 100.6 °C; (19)Enthalpy of Vaporization: 47.98 kJ/mol; (20)Boiling Point: 242.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0333 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccc(Br)c1N
(2) InChI: InChI=1/C6H5BrClN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
(3) InChIKey: BIMSFWCFKDVSNO-UHFFFAOYAX
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