5-Chloro-2-nitrobenzenemethanol
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5-Chloro-2-nitrobenzenemethanol
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CAS No:
73033-58-6
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Formula:
C7H6ClNO3
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Chemical Name:
5-Chloro-2-nitrobenzenemethanol
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Synonyms:
Benzenemethanol,5-chloro-2-nitro-;5-Chloro-2-nitrobenzenemethanol;5-Chloro-2-nitrobenzyl alcohol;(5-Chloro-2-nitrophenyl)methanol
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CAS No:
Characteristics
66
1.1
Light yellow to brown crystalline powder
1.5±0.1 g/cm3
79.8-80.2 °C
316℃
145℃
1.612
Safety Information
NONH for all modes of transport
3
36/37/38-51
24/25-36-26
Xi
P261-P305 + P351 + P338
H315-H319-H335
|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|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Chloro-2-nitrobenzenemethanol Use and Manufacturing
General procedure: To a cooled (ice-bath) solution of aldehyde (1 eq.) in EtOH (0.44 M) was added NaBH4 (1.5 eq.) andthe mixture was stirred for 2 h at 0 °C. After completion (monitored by TLC analysis), carefulevaporation of the solvent gave a semi-solid, which was slowly treated with saturated aqueous ofNH4Cl. After evolution of H2 gas ended, the aqueous phase was extracted four times with CH2Cl2. Thecombined organic phases were washed with water and brine, dried with magnesium sulfate and filtered.Evaporation of the solvent under reduced pressure gave the desired product 12, which was used in thenext step without further purification.A solution of borane:tetrahydrofuran complex (25.8 g, 0.3 mole) in tetrahydrofuran (THF) (300 mL) was added dropwise to a stirred solution of 5-chloro-2-nitrobenzoic acid (50.0 g, 0.24 mole) in dry THF (400 mL) maintained at 0° C. under an atmosphere of nitrogen.
Computed Properties
Molecular Weight:187.58
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:187.0036207
Monoisotopic Mass:187.0036207
Topological Polar Surface Area:66
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes