2,6-Dichloro-3-fluorobenzoic acid

Basic Information

View in Editor

CAS Number

178813-78-0

Molecular Formula

C7H3Cl2FO2

Molecular Weight

209 g/mol

Basic Physical Properties

Physical State

No data available

Melting Point

Boiling Point

301.1±37.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Flash Point

135.9±26.5 °C

Refractive Index

1.574

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

View in Editor

C1=CC(=C(C(=C1F)Cl)C(=O)O)Cl

InChI

InChI=1S/C7H3Cl2FO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,(H,11,12)

InChIKey

NMFMJSSFYLXQAO-UHFFFAOYSA-N

LogP

2.8307

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

188

Safety Information

View Safety Information

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

Sensitiveness

Air Sensitive

Synonyms & References

English

GS-3350
NSC190306
2,6-Dichloro-5-fluorobenzoic acid
SCHEMBL1358784
CS-W021521
2,6-Dichloro-3-fluorobenzoicacid
BENZOIC ACID, 2,6-DICHLORO-3-FLUORO-
MFCD06658165
2,6-dichloro-3-fluorobenzoic acid
178813-78-0
FT-0600961
AM20060808
DTXSID10307158
AC-322
A20280
NMFMJSSFYLXQAO-UHFFFAOYSA-N
FT-0658230
2,6-Dichloro-3-fluorobenzoic acid, AldrichCPR
NSC-190306
AKOS015892790
2,6-Dichloro-3-fluorobenzoic acid
Benzoic acid, 2,6-dichloro-3-fluoro-
2,5-DIAMINO-3-IODOPYRIDINE
2,6-Dichloro-3-fluorobenzoic
6-Dichloro-3-fluorobenzoic acid
3-FLUORO-2,6-DICHLORO BENZOIC ACID
2,6-DICHLORO-3-FLUOROBENZOIC ACID,98%
2,6-DICHLORO-5-FLUOROBENZOIC ACID
2,6-DICHLORO-3-FLUOROBENZOIC ACID

MDL Number

MFCD06658165

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2,6-Dichloro-3-fluorobenzoic acid (CAS: 178813-78-0)?

2,6-Dichloro-3-fluorobenzoic acid (CAS: 178813-78-0) is regulated under the Global Harmonized System (GHS) for classification and labeling of chemicals. In the European Union, it is also subject to the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation. In the United States, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for handling and labeling this compound.

Are there alternatives to 2,6-Dichloro-3-fluorobenzoic acid (CAS: 178813-78-0) in synthesis?

There are alternative reagents that can be used in place of 2,6-Dichloro-3-fluorobenzoic acid (CAS: 178813-78-0) depending on the specific reaction conditions. For example, 2,6-Dichloro-3-fluorobenzenesulfonic acid can be a suitable substitute in some cases. However, the choice of alternative depends on the desired product and the reaction conditions.

What is the market or research trend for 2,6-Dichloro-3-fluorobenzoic acid (CAS: 178813-78-0)?

The market for 2,6-Dichloro-3-fluorobenzoic acid (CAS: 178813-78-0) is primarily driven by its application in pharmaceuticals and agrochemicals due to its functional groups. Recent research trends focus on its use in drug discovery and development, particularly in compounds targeting specific biological pathways. Price trends and demand are positively correlated with the increasing demand in these sectors.

How should waste containing 2,6-Dichloro-3-fluorobenzoic acid (CAS: 178813-78-0) be handled?

Waste containing 2,6-Dichloro-3-fluorobenzoic acid (CAS: 178813-78-0) should be collected in a sealed container and disposed of through professional waste disposal services. Incineration is a common method, but it must be done in compliance with local regulations. Proper environmental protection measures, such as minimizing exposure and preventing leaks, are essential during handling and disposal to ensure safety and compliance.