Cas no 15787-12-9 (Isoquinoline, 3-chloro-1-methyl-)

3-Chloro-1-methylisoquinoline is a halogenated isoquinoline derivative with notable utility in organic synthesis and pharmaceutical research. Its chloro and methyl substituents enhance reactivity, making it a versatile intermediate for constructing complex heterocyclic frameworks. The compound’s stability under standard conditions ensures reliable handling and storage. It is particularly valued in medicinal chemistry for its potential as a scaffold in drug discovery, owing to the isoquinoline core’s prevalence in bioactive molecules. The electron-withdrawing chloro group further facilitates selective functionalization, enabling precise modifications for target applications. This compound is suited for use in cross-coupling reactions, nucleophilic substitutions, and other transformations critical to fine chemical synthesis.
Isoquinoline, 3-chloro-1-methyl- structure
15787-12-9 structure
Product Name:Isoquinoline, 3-chloro-1-methyl-
CAS No:15787-12-9
MF:C10H8ClN
MW:177.630221366882
MDL:MFCD22200030
CID:1336612
PubChem ID:12694140
Update Time:2025-10-29

Isoquinoline, 3-chloro-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 3-chloro-1-methyl-
    • 3-Chloro-1-methylisoquinoline
    • MFCD22200030
    • D80082
    • SCHEMBL2170888
    • Methylisochinolinchlorid
    • DA-09822
    • AGPHINVRYAFBSN-UHFFFAOYSA-N
    • 15787-12-9
    • MDL： MFCD22200030
    • Inchi： 1S/C10H8ClN/c1-7-9-5-3-2-4-8(9)6-10(11)12-7/h2-6H,1H3
    • InChI Key： AGPHINVRYAFBSN-UHFFFAOYSA-N
    • SMILES： ClC1=CC2C=CC=CC=2C(C)=N1

Computed Properties

  • Exact Mass: 177.03464
  • Monoisotopic Mass: 177.0345270g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • 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: 12.9?2

Experimental Properties

  • PSA: 12.89

Isoquinoline, 3-chloro-1-methyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB547225-1 g
3-Chloro-1-methylisoquinoline; .
 15787-12-9
1g
 €576.20 2023-04-13
abcr
AB547225-1g
3-Chloro-1-methylisoquinoline; .
 15787-12-9
1g
 €576.20 2025-04-20
Ambeed
A1195205-100mg
3-Chloro-1-methylisoquinoline
 15787-12-9 98%
100mg
 $177.0 2025-03-18
Ambeed
A1195205-250mg
3-Chloro-1-methylisoquinoline
 15787-12-9 98%
250mg
 $299.0 2025-03-18
Ambeed
A1195205-1g
3-Chloro-1-methylisoquinoline
 15787-12-9 98%
1g
 $806.0 2025-03-18
SHANG HAI SHAO YUAN SHI JI Co., Ltd.
SY397552-1g
3-Chloro-1-methylisoquinoline
 15787-12-9 ≥95%
1g
 ￥5488.00 2025-04-18

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