2-BROMO-1-CHLORO-3-NITROBENZENE
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2-BROMO-1-CHLORO-3-NITROBENZENE
structure -
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CAS No:
19128-48-4
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Formula:
C6H3BrClNO2
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Chemical Name:
2-BROMO-1-CHLORO-3-NITROBENZENE
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Synonyms:
2-BROMO-1-CHLORO-3-NITROBENZENE;2-Bromo-3-chloronitrobenzene
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CAS No:
Characteristics
45.8
3.1
1.827±0.06 g/cm3(Predicted)
83-85℃
252.7±20.0 °C(Predicted)
106.6±21.8 °C
1.619
Safety Information
Ⅲ
6.1
2811
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-BROMO-1-CHLORO-3-NITROBENZENE Use and Manufacturing
SM-8 (1 equiv), 2-Bromo-1-chloro-3-nitrobenzene (1 equiv), Pd(PPh3)4 (0.03 equiv), K2CO3 (3 equiv), THF (8 mL / SM-8 1 mmol) , Water (4ml / 0.5 mmol) was added and the reaction proceeds at 65 C. After completion of the reaction, the mixture was extracted with CH2Cl2 and water, and then the organic layer was dried over MgSO4 and concentrated. Thereafter, the concentrate was separated by a silica gel column and recrystallized to obtain SM-9. (Yield 72%).SM-15 (1 equiv), 2-Bromo-1-chloro-3-nitrobenzene (1 equiv), Pd(PPh3)4 (0.03 equiv), K2CO3 (3 equiv), THF (8 mL / SM-15 1 mmol), Water (4ml / 0.5 mmol) was added and the reaction proceeds at 65 C. After completion of the reaction, the mixture was extracted with CH2Cl2 and water, and then the organic layer was dried over MgSO4 and concentrated. After completion of the reaction, the mixture was extracted with CH 2 Cl 2 and water, and then the organic layer was dried over MgSO 4 and concentrated. (Yield 83%)
Computed Properties
Molecular Weight:236.45
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Exact Mass:234.90357
Monoisotopic Mass:234.90357
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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