Methyl 4-acetamido-5-chloro-2-methoxybenzoate
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Methyl 4-acetamido-5-chloro-2-methoxybenzoate
structure -
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CAS No:
4093-31-6
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Formula:
C11H12ClNO4
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Chemical Name:
Methyl 4-acetamido-5-chloro-2-methoxybenzoate
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Synonyms:
Benzoic acid,4-(acetylamino)-5-chloro-2-methoxy-,methyl ester;o-Anisic acid,4-acetamido-5-chloro-,methyl ester;Methyl 4-acetamido-5-chloro-o-anisate;Methyl 2-methoxy-4-acetamido-5-chlorobenzoate;Methyl 2-methoxy-4-acetylamino-5-chlorobenzoate;Methyl 4-acetamido-5-chloro-2-methoxybenzoate;4-Acetamido-5-chloro-2-methoxybenzoic acid methyl ester;Methyl 4-acetylamino-5-chloro-2-methoxybenzoate;4-Acetylamino-5-chloro-2-methoxybenzoic acid methyl ester;Methyl 4-(acetylamino)-5-chloro-2-(methyloxy)benzoate
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CAS No:
Methyl 4-acetamido-5-chloro-2-methoxybenzoate Basic Attributes
257.67
257.67
223-840-1
3D7Z5O4UXA
DTXSID6057740
2924299090
Characteristics
64.6
1.6
Solid.
1.312g/cm3
153 °C
440.2°C at 760 mmHg
220ºC
1.564
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
20/21/22-36/37/38
24/25-36-26
Xn
Stable under normal temperatures and pressures.
P261-P280-P301 + P312 + P330
H302 + H312 + H332
|Warning|H302 (90.91%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 59 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl 4-acetamido-5-chloro-2-methoxybenzoate Use and Manufacturing
Using methyl acetamidosalicylate with dimethyl sulfate, etherification to obtain methyl acetamido-o-methoxyformate. The latter is obtained by chlorination of chlorine gas.
Methyl 4-Acetylamino-5-chloro-2-methoxybenzoate is an biotransformed metabolite of Metoclopramide (M338685), an dopamine D2 receptor antagonist and antiemetic agent.
Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-, methyl ester: INACTIVE
Computed Properties
Molecular Weight:257.67
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:257.0454856
Monoisotopic Mass:257.0454856
Topological Polar Surface Area:64.6
Heavy Atom Count:17
Complexity:297
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl 4-acetamido-5-chloro-2-methoxybenzoate
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