3-Chloro-2,2-bis(chloromethyl)propanoic acid

Basic Information

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CAS Number

17831-70-8

Molecular Formula

C5H7Cl3O2

Molecular Weight

205.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

262.7°Cat760mmHg

Density

1.468

Flash Point

112.7°C

Refractive Index

1.502

SMILES

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C(C(CCl)(CCl)C(=O)O)Cl

InChI

InChI=1S/C5H7Cl3O2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H,9,10)

InChIKey

RDRNKIGGASXJAX-UHFFFAOYSA-N

LogP

1.7738

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

114

Synonyms & References

English

FT-0651131
3-Chloro-2 pound not2-bis(chloromethyl)propanoic acid
3-CHLORO-2,2-DICHLOROMETHYL PROPIONIC ACID
SCHEMBL9139060
J-512176
3-Chloro-2,2-bis(chloromethyl)propanoicacid
MFCD00021685
SY108755
NSC-89302
Propanoicacid,3-chloro-2,2-bis(chloromethyl)-
AKOS015994503
RDRNKIGGASXJAX-UHFFFAOYSA-N
3-Chloro-2,2-bis(chloromethyl)propionic acid
Propanoic acid, 3-chloro-2,2-bis(chloromethyl)-
CS-W021894
17831-70-8
NSC89302
SS-3556
3-Chloro-2,2-bis(chloromethyl)propanoic acid
DTXSID50293405
3-Chloro-2,2-bis-chloromethyl-propionicacid
3-Chloro-2,2-bis-chloromethyl-propionic acid
3-Chloro-2,2-dichloromethyl propionic acid
Propanoicacid, 3-chloro-2,2-bis(chloromethyl)-
TRIS(CHLOROMETHYL)ACETIC ACID
3-Chlor-2,2-bis-chlormethyl-propionsaeure
FCH1329136
RP26185
OR310319
3-Chloro-2,2-dichloromethylpropionic acid
3-chloro-2,2-bis(chloromethyl)propanoic acid

MDL Number

MFCD00021685

Customs Code

2915900090

FAQ

What are the physical and chemical properties of 3-Chloro-2,2-bis(chloromethyl)propanoic acid (CAS: 17831-70-8)?

3-Chloro-2,2-bis(chloromethyl)propanoic acid (CAS: 17831-70-8) is a crystalline solid with a molecular weight of approximately 313.95 g/mol. It is poorly soluble in water but soluble in organic solvents such as ethanol and acetone. The compound exhibits strong reactivity due to the presence of multiple electrophilic chloromethyl groups, making it prone to nucleophilic substitution reactions.

How is 3-Chloro-2,2-bis(chloromethyl)propanoic acid (CAS: 17831-70-8) typically synthesized?

3-Chloro-2,2-bis(chloromethyl)propanoic acid is typically synthesized through a series of chlorination and acylation reactions. The process involves the chlorination of 2,2-bis(chloromethyl)propane followed by acylation with chloroacetyl chloride. The reaction is typically performed under anhydrous conditions to avoid side reactions. Yield and selectivity can be improved by using appropriate catalysts.

What industries use 3-Chloro-2,2-bis(chloromethyl)propanoic acid (CAS: 17831-70-8)?

3-Chloro-2,2-bis(chloromethyl)propanoic acid (CAS: 17831-70-8) finds applications in the pharmaceutical industry for the synthesis of certain intermediates, as well as in the sensor industry for the development of gas sensors. It can also be used in the semiconductor industry as a component in photoresists and other specialty chemicals.

What precautions should be taken when handling 3-Chloro-2,2-bis(chloromethyl)propanoic acid (CAS: 17831-70-8)?

When handling 3-Chloro-2,2-bis(chloromethyl)propanoic acid (CAS: 17831-70-8), it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Storage should be in a fume hood or well-ventilated area. Spills should be handled using appropriate containment and neutralization techniques. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.