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3-Amino-4-methoxybenzoic acid

3-Amino-4-methoxybenzoic acid structure

CAS No:
2840-26-8
Formula:
C8H9NO3
Chemical Name:
3-Amino-4-methoxybenzoic acid
Synonyms:
Benzoic acid,3-amino-4-methoxy-;p-Anisic acid,3-amino-;3-Amino-4-methoxybenzoic acid;4-Methoxy-3-aminobenzoic acid;2-Anisidine-5-benzoic acid
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

White to light yellow crystal powder

3-Amino-4-methoxybenzoic acid Basic Attributes

Molecular Weight：

167.16

Exact Mass：

167.16

EC Number：

220-634-3

HScode：

2922509090

Characteristics

PSA：

72.6

XLogP3：

0.8

Appearance：

White to light yellow crystal powder

Density：

1.3±0.1 g/cm3

Melting Point：

208-210 °C(lit.)

Boiling Point：

351.6ºC at 760 mmHg

Flash Point：

166.4±23.7 °C

Refractive Index：

1.604

Water Solubility：

soluble in water.

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

1.51E-05mmHg at 25°C

Toxicity：

Oral-rat LD50: 8280 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-37/38-36

safety instructions：

26-37/39

RTECS Number：

DG2872000

Marks：

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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

practically nontoxic

3-Amino-4-methoxybenzoic acid Use and Manufacturing

Methods of Manufacturing

PREPARATIVE EXAMPLE 52 3-Amino-p-anisic acid (1) (20.0 g, 119 mmol)was suspended in asolution of NaOH (1 mol/L, 180 mL) and THF (150 mL). The mixturewas cooled in an ice bath. A solution of di-tert-butyl dicarbonate(Boc)2O (104.4 g, 479 mmol) in THF (70 mL) was then addeddropwise over a period of 30 min under stirring. The ice-bath wasremoved after dropping and the mixture was stirred for another12 h at room temperature. Thereafter, the THF was removed invacuo, and the remaining aqueous solution was diluted with water.The resulting mixture was extracted three times with AcOEt(70mL 3). The aqueous layer was acidified with concentrated HClto neutralize PH to 4e5 and extracted with AcOEt (80 mL 3). Thecombined organic layers were washed with water, and dried overNa2SO4. Then filtration and concentration in vacuo gave (2) (20.78 g, 65%) as off-white solid, which was used for the next step withoutfurther purification.20 g of 1) 1.0 g (6 mmol)

Uses

Mainly used for printing, dyeing and manufacturing organic pigments and coatings on cotton and hemp

Computed Properties

Molecular Weight:167.16
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:167.058243149
Monoisotopic Mass:167.058243149
Topological Polar Surface Area:72.6
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Hexane

Ethyl acetate

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Guide of 3-Amino-4-methoxybenzoic acid

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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3-Amino-4-methoxybenzoic acid

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