Cas no 21900-41-4 (5-bromo-2-methylbenzoyl chloride)

5-Bromo-2-methylbenzoyl chloride (CAS: 102186-07-8) is a versatile acyl chloride derivative used as a key intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive benzoyl chloride group enables efficient acylation reactions, while the bromo and methyl substituents offer regioselective modification sites for further functionalization. The compound exhibits high purity and stability under controlled conditions, ensuring reliable performance in coupling reactions, such as amide or ester formation. Its structural features make it valuable for constructing complex molecular frameworks in medicinal chemistry and material science applications. Proper handling under inert atmospheres is recommended due to moisture sensitivity.

5-bromo-2-methylbenzoyl chloride structure

21900-41-4 structure

Product Name:5-bromo-2-methylbenzoyl chloride

CAS No:21900-41-4

MF:C₈H₆BrClO

MW:233.489640712738

MDL:MFCD12025013

CID:1005364

PubChem ID:22328611

Update Time:2025-10-19

5-bromo-2-methylbenzoyl chloride Chemical and Physical Properties

Names and Identifiers

- 5-bromo-2-methylbenzoyl chloride
- Benzoyl chloride, 5-bromo-2-methyl-
- LogP
- 5-Bromo-2-methylbenzoylchloride
- JOGHNBXDSOKTPG-UHFFFAOYSA-N
- 21900-41-4
- DTXSID70624873
- A911595
- MFCD12025013
- SCHEMBL18431
- AKOS014642081
- MDL： MFCD12025013
- Inchi： 1S/C8H6BrClO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3
- InChI Key： JOGHNBXDSOKTPG-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C)=C(C(=O)Cl)C=1

Computed Properties

Exact Mass: 231.92908
Monoisotopic Mass: 231.92906g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 11
Rotatable Bond Count: 1
Complexity: 160
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.5
Topological Polar Surface Area: 17.1?2

Experimental Properties

Density: 1.574±0.06 g/cm3 (20 oC 760 Torr),
Boiling Point: 272.6±28.0 oC (760 Torr),
Flash Point: 118.7±24.0 oC,
Solubility: Very slightly soluble (0.26 g/l) (25 o C),
PSA: 17.07

5-bromo-2-methylbenzoyl chloride Security Information

Storage Condition：(BD307666)

5-bromo-2-methylbenzoyl chloride Pricemore >>

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