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Cas Database |
| Name |
Benzene,1-bromo-2-chloro-3-nitro- |
EINECS | N/A |
| CAS No. | 3970-37-4 | Density | 1.827 g/cm3 |
| PSA | 45.82000 | LogP | 3.53390 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H3BrClNO2 | Boiling Point | 290.355 °C at 760 mmHg |
| Molecular Weight | 236.452 | Flash Point | 129.403 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Bromo-2-chloro-3-nitrobenzene; |
Article Data | 17 |
Benzene,1-bromo-2-chloro-3-nitro- Synthetic route
| Conditions | Yield |
|---|---|
| With bromine; mercury(II) oxide In tetrachloromethane for 3.5h; Heating; Irradiation; | 96% |
| With bromine; mercury(II) oxide In tetrachloromethane light; | 96% |
| With bromine; mercury(II) oxide In tetrachloromethane at 20℃; for 4.5h; Heating / reflux; Irradiation; | 95% |
- 59255-95-7
2-bromo-6-nitroaniline
- 3970-37-4
1-bromo-2-chloro-3-nitrobenzene
| Conditions | Yield |
|---|---|
| With tert.-butylnitrite; copper dichloride In acetonitrile at 60℃; for 1h; Inert atmosphere; | 86.2% |
| With tert.-butylnitrite; copper dichloride In acetonitrile at 60℃; for 1h; Inert atmosphere; | 82.7% |
| Diazotization.Eintropfen der Diazoniumloesung in Kupferchloruerloesung; | |
| Stage #1: 2-bromo-6-nitroaniline With sodium nitrate; sulfuric acid; acetic acid at 25 - 35℃; for 0.5h; Stage #2: With hydrogenchloride; copper(l) chloride In water at 70℃; |
| Conditions | Yield |
|---|---|
| Stage #1: 2-chloro-3-nitroaniline With hydrogen bromide; sodium nitrite In water at 0 - 5℃; for 0.5h; Stage #2: With hydrogen bromide; copper(I) bromide In water at 70℃; for 1h; Sandmeyer Reaction; | 71% |
| With tert.-butylnitrite; copper(ll) bromide In acetonitrile at 65℃; for 0.5h; |
- 26429-41-4
1,2-dibromo-3-nitrobenzene
- 3970-37-4
1-bromo-2-chloro-3-nitrobenzene
| Conditions | Yield |
|---|---|
| With tetrabutylammonium bromchlorocuprate(I) In chlorobenzene at 90℃; Rate constant; halogen exchange reaction of 3-bromo-2-iodonitrobenzene with tetrabutylammonium bromochlorocuprate(I), NMR study; | |
| With tetrabutylammonium dichlorocuprate(I) In dimethyl sulfoxide at 85℃; Rate constant; Thermodynamic data; Kinetics; solvent dependence, ΔH(excit), ΔS(excit); | |
| Multi-step reaction with 2 steps 1: alcohol; ammonia / 180 °C 2: Diazotization.Eintropfen der Diazoniumloesung in Kupferchloruerloesung View Scheme |
- 32337-96-5
1-bromo-2-iodo- 3-nitrobenzene
- 3970-37-4
1-bromo-2-chloro-3-nitrobenzene
| Conditions | Yield |
|---|---|
| With tetrabutylammonium bromchlorocuprate(I) In chlorobenzene at 90℃; Rate constant; halogen exchange reaction of 3-bromo-2-iodonitrobenzene with tetrabutylammonium bromochlorocuprate(I), NMR study; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: nitric acid 2: alcohol; ammonia / 180 °C 3: Diazotization.Eintropfen der Diazoniumloesung in Kupferchloruerloesung View Scheme | |
| Multi-step reaction with 3 steps 1: nitric acid 2: alcohol; ammonia / 180 °C 3: Diazotization.Eintropfen der Diazoniumloesung in Kupferchloruerloesung View Scheme |
- 21908-53-2
mercury(II) oxide
- 3970-35-2
2-chloro-3-nitrobezoic acid
- 3970-37-4
1-bromo-2-chloro-3-nitrobenzene
| Conditions | Yield |
|---|---|
| With bromine In tetrachloromethane |
- 58534-94-4
2-fluoro-3-bromonitrobenzene
- 3970-37-4
1-bromo-2-chloro-3-nitrobenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: ammonia / methanol / 16 h / 100 °C / Sealed tube 2: tert.-butylnitrite; copper dichloride / acetonitrile / 1 h / 60 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 2 steps 1: ammonia / methanol / 16 h / 100 °C / Sealed tube 2: tert.-butylnitrite; copper dichloride / acetonitrile / 1 h / 60 °C / Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: N-chloro-succinimide / N,N-dimethyl-formamide / 1 h / 20 - 75 °C 2.1: hydrogen bromide; sodium nitrite / water / 0.5 h / 0 - 5 °C 2.2: 1 h / 70 °C View Scheme |
- 3970-37-4
1-bromo-2-chloro-3-nitrobenzene
- 56131-46-5
3-bromo-2-chlorobenzenamine
| Conditions | Yield |
|---|---|
| With iron; acetic acid In ethanol; water at 20℃; for 16h; | 100% |
| With iron; ammonium chloride In ethanol; water at 60℃; for 4h; | 93.88% |
| With iron; ammonium chloride In ethanol; water at 60℃; for 4h; | 93.88% |
Benzene,1-bromo-2-chloro-3-nitro- Specification
The CAS registry number of Benzene,1-bromo-2-chloro-3-nitro- is 3970-37-4. This chemical's molecular formula is C6H3BrClNO2 and molecular weight is 236.45. Its systematic name is called 1-bromo-2-chloro-3-nitrobenzene.
Physical properties of Benzene,1-bromo-2-chloro-3-nitro-: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 82; (5)ACD/BCF (pH 7.4): 82; (6)ACD/KOC (pH 5.5): 816; (7)ACD/KOC (pH 7.4): 816; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.619; (11)Molar Refractivity: 45.384 cm3; (12)Molar Volume: 129.411 cm3; (13)Surface Tension: 52.97 dyne/cm; (14)Density: 1.827 g/cm3; (15)Flash Point: 129.403 °C; (16)Enthalpy of Vaporization: 50.849 kJ/mol; (17)Boiling Point: 290.355 °C at 760 mmHg; (18)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1c(cccc1Br)N(=O)=O
2.InChI: InChI=1/C6H3BrClNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
3.InChIKey: JNIDAGAFFKAPRV-UHFFFAOYAV
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