Methyl 3,4-diaminobenzoate

Basic Information

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CAS Number

36692-49-6

Molecular Formula

C8H10N2O2

Molecular Weight

166.18 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

107.0 to 111.0 deg-C

Boiling Point

376.9°C at 760 mmHg

Density

1.26

Flash Point

224.6 °C

Refractive Index

1.583

SMILES

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

InChI

InChI=1S/C8H10N2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,9-10H2,1H3

InChIKey

IOPLHGOSNCJOOO-UHFFFAOYSA-N

LogP

0.6376000000000001

Topological Polar Surface Area

78.34 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

172

Safety Information

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GHS Hazard Pictograms

H301

H319

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AKOS003273126
1,2-diaminobenzene-4-carboxylic acid methyl ester
FT-0600545
Methyl 3,4-diaminobenzoate, 97%
4-methoxycarbonyl-o-phenylene-diamine
4-methoxycarbonyl-1,2-benzenediamine
EN300-171133
A19987
F8882-4701
Methyl3,4-diaminobenzoate
STR06147
AM20060203
3,4-Diamino-benzoic acid methyl ester
SCHEMBL192100
BP-10003
MFCD00017098
M2346
benzoic acid, 3,4-diamino-, methyl ester
3,4-diaminobenzoic acid methyl ester
10X-0878
Ethylmethylsulfide
4-methoxycarbonyl-1,2-phenylenediamine
methyl 3,4-diamino-benzoate
Methyl 3,4-diaminobenzoate
AC-3944
Methyl-3,4-diamino-benzoate
SY002637
CS-W007431
DTXSID00190137
J-522665
methyl-3,4-diaminobenzoate

MDL Number

MFCD00017098

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Methyl 3,4-diaminobenzoate (CAS: 36692-49-6)?

Methyl 3,4-diaminobenzoate (CAS: 36692-49-6) is a white crystalline solid with a molecular weight of approximately 192.19 g/mol. It has a solubility of about 1.5 g/100 mL in water and is slightly soluble in organic solvents. This compound is known for its reactivity, particularly in its ability to participate in condensation and substitution reactions.

How is Methyl 3,4-diaminobenzoate (CAS: 36692-49-6) typically synthesized?

Methyl 3,4-diaminobenzoate (CAS: 36692-49-6) is commonly synthesized via the condensation of methyl benzoate with hydrazine hydrate. The reaction is typically carried out in the presence of a catalyst such as sulfuric acid, with good yields and moderate selectivity.

What industries use Methyl 3,4-diaminobenzoate (CAS: 36692-49-6)?

Methyl 3,4-diaminobenzoate (CAS: 36692-49-6) finds applications in pharmaceuticals and polymers. It is used as an intermediate in the synthesis of various drugs and also as a monomer in the production of certain types of plastics and resins.

What precautions should be taken when handling Methyl 3,4-diaminobenzoate (CAS: 36692-49-6)?

When handling Methyl 3,4-diaminobenzoate (CAS: 36692-49-6), proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, it should be cleaned up with the appropriate absorbent material and disposed of according to local regulations. For detailed safety information, refer to the Material Safety Data Sheet (MSDS).