Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester
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Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester
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CAS No:
32961-44-7
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Formula:
C11H15ClN2O2
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Chemical Name:
Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester
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Synonyms:
Benzoic acid,3,5-diamino-4-chloro-,2-methylpropyl ester;Isobutyl 4-chloro-3,5-diaminobenzoate;Isobutyl 3,5-diamino-4-chlorobenzoate;Baytec 1604;3,5-Diamino-4-chlorobenzoic acid isobutyl ester;RC 1604;Baytec XL 1604;Addolink 1604;3,5-Diamino-p-chlorobenzoate isobutyl ester;Xylink 1604;2-Methylpropyl 3,5-diamino-4-chlorobenzoate;DD 1604;DD 1604 (amine);100156-97-6
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CAS No:
Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester Basic Attributes
242.7
242.70
251-311-5
DTXSID8067735
2922499990
Characteristics
78.3
2.8
Brown lump
1.252 g/cm3
86-90 °C(lit.)
396.9°C at 760 mmHg
189.7ºC
1.59
Store in a cool, dry place. Store in a tightly closed container.
Safety Information
IRRITANT
3
22-36/37/38
26
Xn
P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (53.52%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 71 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester Use and Manufacturing
1. Raw materials: 20 g of esterified product, 100 mL of ethanol, 4 g of Raney nickel and 1 g of morpholine.2. Operation process:1) 20 g of the esterified product, 4 g of Raney nickel, 100 mL of ethanol, Morpholine 1g followed by autoclave sealed, using 0.2-0.3MPa nitrogen, hydrogen autoclave each replaced 3 times;2) charge hydrogen pressure to 3.0MPa, heated to 90-100 insulation, Until the pressure inside the kettle down to 2.0Mpa timely replenishment pressure to 3.0MPa;3) continued to maintain the pressure within the reactor 2.0-3.0MPa reaction 1.5 hours, System no longer hydrogen absorption, the reaction ended, cooling;4) suction filtration, solid Raney nickel recycling;5) The filtrate was concentrated under reduced pressure to a viscous state, placed in a freezer, frozen and crystallized.Experimental results: The reaction was complete, the product yield 92percent;1. Raw materials: 20 g of esterified product, 100 mL of ethanol, 4 g of Raney nickel and 1 g of morpholine.2. Operation process:1) 20 g of the esterified product, 4 g of Raney nickel, 100 mL of ethanol, Morpholine 1g followed by autoclave sealed, using 0.2-0.3MPa nitrogen, hydrogen autoclave each replaced 3 times;2) charge hydrogen pressure to 3.0MPa, heated to 90-100 insulation, Until the pressure inside the kettle down to 2.0Mpa timely replenishment pressure to 3.0MPa;3) continued to maintain the pressure within the reactor 2.0-3.0MPa reaction 1.5 hours, System no longer hydrogen absorption, the reaction ended, cooling;4) suction filtration, solid Raney nickel recycling;5) The filtrate was concentrated under reduced pressure to a viscous state, placed in a freezer, frozen and crystallized.Experimental results: The reaction was complete, the product yield 92percent;
Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester: ACTIVE
Computed Properties
Molecular Weight:242.70
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:242.0822054
Monoisotopic Mass:242.0822054
Topological Polar Surface Area:78.3
Heavy Atom Count:16
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester
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