3-Chloro-4-(dihydroxyboryl)benzoic acid

Basic Information

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CAS Number

851335-09-6

Molecular Formula

C7H6BClO4

Molecular Weight

200.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

212-216°C

Boiling Point

429.7°C at 760 mmHg

SMILES

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OB(C1=CC=C(C(O)=O)C=C1Cl)O

InChI

InChI=1S/C7H6BClO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,12-13H,(H,10,11)

InChIKey

FYDHSNLXZRGWFU-UHFFFAOYSA-N

LogP

-0.28200000000000025

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

199

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Class KEEP COLD Class KEEP COLD

Synonyms & References

English

4-Carboxy-2-chlorophenylboronic acid
4-Carboxy-2-chlorophenylboronic Acid (contains varying amounts of Anhydride)
2-Chloro-4-carboxyphenylboronic acid
4-borono-3-chlorobenzoic acid
Benzoic acid,4-borono-3-chloro-
4-Carboxy-2-chlorobenzeneboronic acid
4-Carboxy-2-chlorobenzeneboronic Acid (contains varying amounts of Anhydride)
BENZOIC ACID, 4-BORONO-3-CHLORO-
3-chloro-4-(dihydroxyboranyl)benzoic acid
KSC497Q8L
4-borono-3-chloro benzoic acid
FYDHSNLXZRGWFU-UHFFFAOYSA-N
ZXBA000472
SBB065902
OR5712

MDL Number

MFCD07363763

Customs Code

2931900090

FAQ

What regulatory guidelines apply to 3-Chloro-4-(dihydroxyboryl)benzoic acid (CAS: 851335-09-6)?

3-Chloro-4-(dihydroxyboryl)benzoic acid (CAS: 851335-09-6) falls under the classification of a hazardous chemical according to GHS (Globally Harmonized System of Classification and Labeling of Chemicals). It is subject to REACH regulations in the European Union, requiring registration if the quantity used exceeds certain thresholds. Additionally, it must comply with FDA and EPA regulations in the United States, including proper labeling and handling to prevent environmental contamination.

Are there alternatives to 3-Chloro-4-(dihydroxyboryl)benzoic acid (CAS: 851335-09-6) in synthesis?

When synthesizing compounds similar to 3-Chloro-4-(dihydroxyboryl)benzoic acid (CAS: 851335-09-06), there are several alternatives, such as using 3-bromo-4-(dihydroxyboryl)benzoic acid or 3-fluoro-4-(dihydroxyboryl)benzoic acid. These alternatives can offer different reactivity profiles and can be chosen based on the desired final product and synthesis conditions.

What is the market or research trend for 3-Chloro-4-(dihydroxyboryl)benzoic acid (CAS: 851335-09-6)?

The market for 3-Chloro-4-(dihydroxyboryl)benzoic acid (CAS: 851335-09-6) is growing due to its use in pharmaceutical and fine chemical industries. Research trends indicate a focus on developing more sustainable synthesis methods and investigating its potential in新材料研发领域，如新型药物合成。

How should waste containing 3-Chloro-4-(dihydroxyboryl)benzoic acid (CAS: 851335-09-6) be handled?

Waste containing 3-Chloro-4-(dihydroxyboryl)benzoic acid (CAS: 851335-09-6) should be disposed of according to local and national regulations. It is recommended to collect waste in a sealed container and properly label it. For disposal, professional waste disposal services should be utilized to ensure safe incineration or other methods. Environmental protection precautions include minimizing waste generation and using appropriate personal protective equipment during handling.