Cas no 1033201-77-2 (3-Chloro-7-methylisoquinoline)

3-Chloro-7-methylisoquinoline is a heterocyclic aromatic compound featuring a chloro substituent at the 3-position and a methyl group at the 7-position of the isoquinoline scaffold. This structure imparts unique reactivity and versatility, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The chloro group enhances electrophilic substitution potential, while the methyl group contributes to steric and electronic modulation. Its well-defined crystalline form ensures high purity and stability, facilitating precise applications in cross-coupling reactions and metal-catalyzed transformations. The compound’s robust synthetic utility and compatibility with diverse reaction conditions underscore its importance in medicinal chemistry for constructing bioactive molecules.
3-Chloro-7-methylisoquinoline structure
3-Chloro-7-methylisoquinoline structure
Product Name:3-Chloro-7-methylisoquinoline
CAS No:1033201-77-2
MF:C10H8ClN
MW:177.630221366882
MDL:MFCD10699649
CID:821252
PubChem ID:21061717
Update Time:2025-07-02

3-Chloro-7-methylisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-7-methylisoquinoline
    • ACMC-20985w
    • ACT06324
    • AG-D-13927
    • AK-93925
    • ANW-14850
    • CTK4A1955
    • SCHEMBL8268451
    • AS-59909
    • MFCD10699649
    • DTXSID60610407
    • 1033201-77-2
    • AKOS006302972
    • EN300-645064
    • W16225
    • J-000930
    • DB-084156
    • CS-0081544
    • MDL： MFCD10699649
    • Inchi： 1S/C10H8ClN/c1-7-2-3-8-5-10(11)12-6-9(8)4-7/h2-6H,1H3
    • InChI Key： OZGPSMOHOBPNJI-UHFFFAOYSA-N
    • SMILES： ClC1=CC2C=CC(C)=CC=2C=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: 3.4
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • Density: 1.225±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.17 g/l) (25 o C),
  • PSA: 12.89

3-Chloro-7-methylisoquinoline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A189005324-1g
3-Chloro-7-methylisoquinoline
 1033201-77-2 95%
1g
 $795.00 2023-09-04
TRC
C369823-10mg
3-Chloro-7-methylisoquinoline
 1033201-77-2
10mg
 $ 50.00 2022-04-01
TRC
C369823-50mg
3-Chloro-7-methylisoquinoline
 1033201-77-2
50mg
 $ 70.00 2022-04-01
TRC
C369823-100mg
3-Chloro-7-methylisoquinoline
 1033201-77-2
100mg
 $ 115.00 2022-04-01
Chemenu
CM144754-1g
3-Chloro-7-methylisoquinoline
 1033201-77-2 95%
1g
 $701 2021-08-05
Ambeed
A258728-100mg
3-Chloro-7-methylisoquinoline
 1033201-77-2 95%
100mg
 $133.0 2024-04-26
Ambeed
A258728-250mg
3-Chloro-7-methylisoquinoline
 1033201-77-2 95%
250mg
 $226.0 2024-04-26
Ambeed
A258728-1g
3-Chloro-7-methylisoquinoline
 1033201-77-2 95%
1g
 $607.0 2024-04-26
abcr
AB272807-100mg
3-Chloro-7-methylisoquinoline, 95%; .
 1033201-77-2 95%
100mg
 €403.10 2024-04-21
abcr
AB272807-250mg
3-Chloro-7-methylisoquinoline, 95%; .
 1033201-77-2 95%
250mg
 €400.90 2025-04-22

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