2-(Chloromethyl)benzoic acid

Basic Information

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CAS Number

85888-81-9

Molecular Formula

C8H7ClO2

Molecular Weight

170.6 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

Physical State

No data available

Melting Point

135-139°C

Boiling Point

305.7±17.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

138.7±20.9 °C

Refractive Index

1.576

SMILES

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c1ccc(c(c1)CCl)C(=O)O

InChI

InChI=1S/C8H7ClO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

YTEUDCIEJDRJTM-UHFFFAOYSA-N

LogP

2.1236

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

147

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

2-(Chloromethyl)benzoic acid
2-Chlormethyl-benzoesaeure
2-chloromethyl-benzoic acid
chloromethylbenzoic acid
o-Chlormethyl-benzoesaeure
o-chloromethyl benzoic acid
RARECHEM AL BO 1528
α-Chloro-o-toluic acid
o-Toluicacid, a-chloro- (6CI)
2-Chloromethylbenzoic acid
NSC 165904
2-(chloromethyl)benzoicacid
NSC165904
alpha-chloro-toluic acid
(chloromethyl)benzoic acid
alp.-Chloro-o-toluic acid
2-Chloromethyl benzoic acid
Benzoic acid,2-(chloromethyl)-
YTEUDCIEJDRJTM-UHFFFAOYSA-N
BCP26853
SBB062706
OR2330
FCH919363
AS00738
VZ24425
B

MDL Number

MFCD06208434

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2-(Chloromethyl)benzoic acid (CAS: 85888-81-9)?

2-(Chloromethyl)benzoic acid (CAS: 85888-81-9) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), requiring specific hazard communication elements such as signal words, pictograms, and hazard statements. In the European Union, it falls under REACH regulations, which require registration of substances above a certain tonnage. For FDA and EPA, proper handling and disposal methods must be followed, including reporting of releases and managing hazardous waste.

Are there alternatives to 2-(Chloromethyl)benzoic acid (CAS: 85888-81-9) in synthesis?

Potential alternatives to 2-(Chloromethyl)benzoic acid include other chlorobenzoic acids or derivatives with different functional groups. Common substitute reagents might include chloral hydrate or other halogenated compounds. These alternatives can offer similar chemical reactivity but with potentially different physical and environmental properties.

What is the market or research trend for 2-(Chloromethyl)benzoic acid (CAS: 85888-81-9)?

The market for 2-(Chloromethyl)benzoic acid is largely driven by its use in pharmaceutical and fine chemical applications. Recent research trends include the development of greener synthesis methods and the exploration of its use as a precursor in the production of other pharmaceuticals. Market trends indicate a steady demand with occasional fluctuations based on industry changes and regulatory impacts.

How should waste containing 2-(Chloromethyl)benzoic acid (CAS: 85888-81-9) be handled?

Waste containing 2-(Chloromethyl)benzoic acid should be collected in appropriate containers and stored under safe conditions to prevent contamination. Proper incineration or professional waste disposal is recommended, following local regulations. Environmental precautions include ensuring that waste does not enter water systems or soil, and appropriate protective measures should be taken by personnel involved in handling the waste.