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Methyl 4-aminobenzoate

Methyl 4-aminobenzoate structure

CAS No:
619-45-4
Formula:
C8H9NO2
Chemical Name:
Methyl 4-aminobenzoate
Synonyms:
Benzoic acid,4-amino-,methyl ester;Benzoic acid,p-amino-,methyl ester;Methyl p-aminobenzoate;4-Aminobenzoic acid methyl ester;Methyl 4-aminobenzoate;p-Aminobenzoic acid methyl ester;p-Carbomethoxyaniline;4-(Methoxycarbonyl)aniline;Methyl aniline-4-carboxylate;p-(Methoxycarbonyl)aniline;4-(Carbomethoxy)aniline;Methyl 4-aminophenylcarboxylate;(4-(Methoxycarbonyl)phenyl)amine;NSC 3783;4-Aminobenzenecarboxylic acid methyl ester
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

white to beige crystals or crystalline powder

Methyl 4-aminobenzoate Basic Attributes

Molecular Weight：

151.16

Exact Mass：

151.16

BRN：

775913

EC Number：

210-598-7

NSC Number：

3783

DSSTox ID：

DTXSID7060704

HScode：

29224995

Characteristics

PSA：

52.3

XLogP3：

1.4

Appearance：

White to beige Crystals or Crystalline Powder

Density：

1.2±0.1 g/cm3

Melting Point：

110-111 °C

Boiling Point：

299.2°C at 760 mmHg

Flash Point：

154.9±17.4 °C

Refractive Index：

1.566

Water Solubility：

soluble in alcohol and ether. Slightly soluble in water.

Storage Conditions：

Store below +30°C.

Toxicity：

Peritoneal-mouse LD50: 237 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxides and hydrogen chloride fumes

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

26-37/39-36/37/39

RTECS Number：

DG2900000

Marks：

Xi,Xn

Storage features：

Warehouse ventilated, low temperature and dry

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|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 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

methyl 4-aminobenzoate

Methyl 4-aminobenzoate Use and Manufacturing

Methods of Manufacturing

It is derived from the esterification of p-nitrobenzoic acid with methanol and then reduction with iron powder. Heat p-nitrobenzoic acid, methanol and sulfuric acid together, and reflux for esterification for 6-8h. After the methanol is recovered, the ester compound is poured into ice water for crystallization, filtered, and washed with water, sodium hydroxide solution, and water successively to obtain methyl p-nitrobenzoate. Add it to the mixture of hydrochloric acid, iron powder and water, and heat it to boil slightly for about 0.5h. Cool, filter, extract with benzene, recover benzene to obtain a crude product, and then recrystallize with methanol to obtain methyl para-aminobenzoate.

Uses

Used as dye intermediate

Manufacturing Info：

Benzoic acid, 4-amino-, methyl ester: ACTIVE

Computed Properties

Molecular Weight:151.16
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:151.063328530
Monoisotopic Mass:151.063328530
Topological Polar Surface Area:52.3
Heavy Atom Count:11
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethyl acetate

Sodium carbonate

Methyl 4-nitrobenzoate

4-Nitrobenzoic acid

Methanol

Hydrochloric acid

Thionyl chloride

PETROLEUM ETHER

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Guide of Methyl 4-aminobenzoate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Methyl 4-aminobenzoate

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