Methyl 6-bromo-2-naphthoate

Basic Information

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CAS Number

33626-98-1

Molecular Formula

C12H9BrO2

Molecular Weight

265.11 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

123-126 °C

Boiling Point

357°C at 760 mmHg

Density

1.5±0.1 g/cm3

Flash Point

169.7℃

Refractive Index

1.634

SMILES

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COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br

InChI

InChI=1S/C12H9BrO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3

InChIKey

JEUBRLPXJZOGPX-UHFFFAOYSA-N

LogP

3.3889000000000014

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

242

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Methyl 6-bromo-2-naphthalene carboxylate
methyl 6-bromonaphthalene-2-carboxylate
A5977
AC-7766
6-Bromo-naphthalene-2-carboxylic acid methyl ester
SY007269
JEUBRLPXJZOGPX-UHFFFAOYSA-N
2-Naphthalenecarboxylic acid, 6-bromo-, methyl ester
UNII-47YX2K4GR3
Methyl 6-bromo-2-naphthoate, 98%
47YX2K4GR3
BCP27227
AKOS005600350
NS00122483
Q-201379
DTXSID50357551
B2202
Methyl-6-bromo-2-naphtoate
2-Bromo-6-methoxycarbonylnaphthalene
SCHEMBL181238
6-Bromo-2-naphthoic Acid Methyl Ester
MFCD00100408
6-Bromo-2-naphthalenecarboxylic Acid Methyl Ester
Methyl 6-(3-benzyl-4-((2-methoxyethoxy)methoxy)phenyl)-2-naphthoate
6-Bromo-naphthalene-2-carboxylic acid methyl ester;Methyl 6-bromo-2-naphthoate
Methyl 6-bromo-2-naphthoate
CS-W007811
Methyl 6-Bromo-2-naphthalenecarboxylate
2-Naphthalenecarboxylic acid, 6-bromo-, methyl ester; 2-Naphthoic acid, 6-bromo-, methyl ester (8CI); 6-Bromonaphthalene-2-carboxylic acid methyl ester; Methyl 6-bromo-2-naphthoate; Methyl 6-bromonaphthalene-2-carboxylate; Adapalene Related Compound A
methyl 6-bromo-2-napthoate
AB7472

MDL Number

MFCD00100408

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 6-bromo-2-naphthoate (CAS: 33626-98-1)?

Methyl 6-bromo-2-naphthoate is a crystalline solid with a molecular weight of approximately 272.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo nucleophilic substitution reactions. It is typically used in organic synthesis and as a reagent.

How is Methyl 6-bromo-2-naphthoate (CAS: 33626-98-1) typically synthesized?

Methyl 6-bromo-2-naphthoate is commonly synthesized via the bromination of methyl 2-naphthoate. This involves treating methyl 2-naphthoate with bromine in the presence of a suitable catalyst such as N-bromosuccinimide (NBS). The reaction typically yields a high percentage of the target compound with good selectivity.

What industries use Methyl 6-bromo-2-naphthoate (CAS: 33626-98-1)?

Methyl 6-bromo-2-naphthoate is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also employed in the polymer industry for developing new materials and in the sensor industry for the production of gas sensors.

What precautions should be taken when handling Methyl 6-bromo-2-naphthoate (CAS: 33626-98-1)?

When handling Methyl 6-bromo-2-naphthoate, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be contained and cleaned up using appropriate methods, and it is advisable to refer to the Safety Data Sheet (SDS) for specific instructions.