ethyl 4-amino-3-methylbenzoate

Basic Information

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CAS Number

40800-65-5

Molecular Formula

C10H13NO2

Molecular Weight

179.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

76-79°C

Boiling Point

327℃/760mmHg

SMILES

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CCOC(=O)C1=CC(=C(C=C1)N)C

InChI

InChI=1S/C10H13NO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3,11H2,1-2H3

InChIKey

JUKRQDBAJXYXIR-UHFFFAOYSA-N

LogP

1.75392

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

182

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

BCP24543
MFCD03788450
JUKRQDBAJXYXIR-UHFFFAOYSA-N
benzoic acid, 4-amino-3-methyl-, ethyl ester
ethyl-4-amino-3-methylbenzoate
FT-0652340
NSC-136731
CS-0151763
SCHEMBL868290
Ethyl4-amino-3-methylbenzoate
SY227005
AC-4484
NSC136731
W10053
40800-65-5
4-amino-3-methyl-benzoic acid ethyl ester
DTXSID70300408
EN300-99651
4-Amino-3-methylbenzoic acid ethyl ester
AS-8502
AKOS000430913
ethyl 4-amino-3-methylbenzoate
Ethyl 4-amino-3-methylbenzoate
Benzoic acid, 4-amino-3-methyl-, ethyl ester
C10H13NO2
Ethyl-4-amino-3-methylbenzoate
1-amino-2-methylbenzene-4-carboxylic acid ethyl ester
4-amino-3-methylbenzoic acid ethyl ester
4-carboethoxy-2-methyl aniline
4-ethoxycarbonyl-2-methylaniline
ethyl 3-methyl-4-aminobenzoate

MDL Number

MFCD03788450

Customs Code

2922499990

FAQ

What are the physical and chemical properties of ethyl 4-amino-3-methylbenzoate (CAS: 40800-65-5)?

Ethyl 4-amino-3-methylbenzoate is a crystalline compound with a molecular weight of approximately 197.23 g/mol. It is slightly soluble in water and more soluble in organic solvents such as ethanol and acetone. Chemically, it is less reactive but can undergo substitution reactions. The compound has a pKa of around 10.5, indicating basic properties due to the amino group.

How is ethyl 4-amino-3-methylbenzoate (CAS: 40800-65-5) typically synthesized?

Ethyl 4-amino-3-methylbenzoate is typically synthesized from 4-amino-3-methylbenzoic acid and ethyl bromide in the presence of a base like sodium hydride. The reaction involves nucleophilic substitution, yielding the desired product with good yield. This method ensures high selectivity and purity of the final compound.

What industries use ethyl 4-amino-3-methylbenzoate (CAS: 40800-65-5)?

Ethyl 4-amino-3-methylbenzoate is used in various industries, including pharmaceuticals for intermediate production, and dye-making for colorants in textiles. It also finds applications in polymer-based coatings and as a sensor component in chemical sensors.

What precautions should be taken when handling ethyl 4-amino-3-methylbenzoate (CAS: 40800-65-5)?

Precautions when handling ethyl 4-amino-3-methylbenzoate include using personal protective equipment (PPE) such as gloves and safety goggles. Store it in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, neutralize the acid with a base, and dispose of it according to local regulations. Always consult the safety data sheet (SDS) for detailed handling procedures.