Methyl 2-chloro-6-methylisonicotinate

Basic Information

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CAS Number

3998-90-1

Molecular Formula

C8H8ClNO2

Molecular Weight

185.61 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

58.0 to 62.0 deg-C

Boiling Point

125°C/7mmHg

Density

1.247

Flash Point

124-125 ºC (7 mmHg)

Refractive Index

1.528

SMILES

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CC1=CC(=CC(=N1)Cl)C(=O)OC

InChI

InChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3

InChIKey

BDWMGYZSQKGUFA-UHFFFAOYSA-N

LogP

1.83002

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

174

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

CS-D0956
DTXSID60374931
SCHEMBL1179017
4-Pyridinecarboxylic acid, 2-chloro-6-methyl-, methyl ester
methyl-2-chloro-6-methylpyridine-4-carboxylate
J-521993
AB17061
3998-90-1
2-Chloro-6-methylpyridine-4-carboxylic Acid Methyl Ester
BDWMGYZSQKGUFA-UHFFFAOYSA-N
AKOS006340214
2-chloro-6-picoline-4-carboxylic acid methyl ester
EN300-123134
A18735
Methyl 2-chloro-6-methylisonicotinate
2-chloro-6-methyl-isonicotinic acid methyl ester
MFCD04038391
Methyl 2-chloro-6-methylpyridine-4-carboxylate, 97%
Methyl 2-chloro-6-picoline-4-carboxylate
AMY7977
Z1203162085
CL0088
PS-6097
FT-0650046
Methyl 2-chloro-6-methylpyridine-4-carboxylate
SY006033
M2239
AC-23148
Methyl2-chloro-6-picoline-4-carboxylate
2-Chloro-6-methylisonicotinic Acid Methyl Ester
methyl 2-chloro-6-methyl-pyridine-4-carboxylate

MDL Number

MFCD04038391

Customs Code

2933399090

FAQ

What is Methyl 2-chloro-6-methylisonicotinate (CAS: 3998-90-1)?

Methyl 2-chloro-6-methylisonicotinate is an organic compound with the CAS number 3998-90-1. It is a white crystalline solid with a molecular formula of C9H10ClN2O2. This compound is used in pharmaceuticals and as a precursor in the synthesis of other chemicals.

What are the main uses of Methyl 2-chloro-6-methylisonicotinate (CAS: 3998-90-1)?

Methyl 2-chloro-6-methylisonicotinate (CAS: 3998-90-1) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also used in the chemical industry for producing other organic compounds and as a reagent in research and development.

Is Methyl 2-chloro-6-methylisonicotinate (CAS: 3998-90-1) safe?

Methyl 2-chloro-6-methylisonicotinate (CAS: 3998-90-1) can be hazardous due to its chlorine content and should be handled with caution. Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn during handling. Avoid contact with skin and eyes, and ensure good ventilation in the work area.

How should Methyl 2-chloro-6-methylisonicotinate (CAS: 3998-90-1) be stored?

Methyl 2-chloro-6-methylisonicotinate (CAS: 3998-90-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and air exposure. Store in a well-ventilated area and avoid contact with incompatible materials such as strong oxidizers.