3-Chloro-5-methoxybenzoic acid

Basic Information

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CAS Number

82477-67-6

Molecular Formula

C8H7ClO3

Molecular Weight

186.59 g/mol

Basic Physical Properties

Melting Point

172-176 °C

Boiling Point

323.134°Cub>15NO5

Density

1.353

Flash Point

149.227°C

Refractive Index

1.562

SMILES

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COC1=CC(=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C8H7ClO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11)

InChIKey

RRVHCVOVXPMKGF-UHFFFAOYSA-N

LogP

2.0467999999999997

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

172

Safety Information

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GHS Hazard Pictograms

H301

H315

H319

H335

Hazard Statement

H301 Toxic 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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

MFCD01317994
CL8083
3-chloro-5-methoxybenzoicacid
FS-2600
AKOS005257242
J-512278
3-Chloro-5-methoxybenzoic acid, 97%
DTXSID00512714
Z1255488484
82477-67-6
FT-0600199
RRVHCVOVXPMKGF-UHFFFAOYSA-N
CS-W016883
SCHEMBL1188720
EN300-206452
AM807313
3-chloro-5-methoxybenzoic acid
AB08610
CS-WAA0107
3-CHLORO-5-METHOXY-BENZOIC ACID
Benzoic acid, 3-chloro-5-methoxy-
3-Chloro-5-methoxybenzoic acid
3-Chloro-5-methoxy-benzoic acid
Benzoicacid, 3-chloro-5-methoxy-

MDL Number

MFCD01317994

Customs Code

2918990090

FAQ

What regulatory guidelines apply to 3-Chloro-5-methoxybenzoic acid (CAS: 82477-67-6)?

3-Chloro-5-methoxybenzoic acid (CAS: 82477-67-6) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and should be classified as a skin and eye irritant. Additionally, it is subject to reporting under the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation in the European Union. In the United States, FDA and EPA regulations may apply based on specific use cases, such as in pharmaceuticals or pesticides.

Are there alternatives to 3-Chloro-5-methoxybenzoic acid (CAS: 82477-67-6) in synthesis?

There are several alternatives to 3-Chloro-5-methoxybenzoic acid (CAS: 82477-67-6) in synthesis, such as 3-methoxybenzoic acid and its isomers. Commonly, researchers and industrialists use these as substitutes depending on the desired properties and the specific application. For instance, 3-hydroxybenzoic acid can be a suitable alternative for similar functionalities.

What is the market or research trend for 3-Chloro-5-methoxybenzoic acid (CAS: 82477-67-6)?

The market for 3-Chloro-5-methoxybenzoic acid (CAS: 82477-67-6) is growing due to its use in the pharmaceutical industry, particularly in the development of antibiotics and anti-inflammatory drugs. Research trends are focusing on its potential in medicinal chemistry and the discovery of new drug leads. Additionally, there is increasing interest in its use as an intermediate in the synthesis of other compounds.

How should waste containing 3-Chloro-5-methoxybenzoic acid (CAS: 82477-67-6) be handled?

Waste containing 3-Chloro-5-methoxybenzoic acid (CAS: 82477-67-6) should be collected in appropriate containers and disposed of through incineration or professional waste disposal services. Environmental protection measures, such as ensuring proper containment to prevent spillage, are essential. It is crucial to follow local and international regulations for chemical waste management to minimize environmental impact.