1,3-Dichloroisoquinoline

• CAS: 7742-73-6
• Catalog Number: ACM7742736
• Category: Other Products
• Molecular Weight: 198.05
• Molecular Formula: C₉H₅Cl₂N
• Synonyms: 1,3-DICHLOROISOQUINOLINE;TIMTEC-BB SBB003563;4-(AMINOMETHYL)-4-HYDROXY-1-METHYLPIPERIDINE;1,3-Dichloroisoquinoline,97%;isoquinoline, 1,3-dichloro-
• Melting Point: 121-122°C(lit.)
• Hazard Statements: Xi
• Safety Description: 26-36
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1,3-Dichloroisoquinoline?

The molecular formula of 1,3-Dichloroisoquinoline is C9H5Cl2N.

When was the structure of 1,3-Dichloroisoquinoline created and last modified?

The structure was created on 2005-03-26 and last modified on 2023-12-30.

What is the molecular weight of 1,3-Dichloroisoquinoline?

The molecular weight is 198.05 g/mol.

What is the IUPAC name of 1,3-Dichloroisoquinoline?

The IUPAC name is 1,3-dichloroisoquinoline.

What is the Canonical SMILES representation of 1,3-Dichloroisoquinoline?

The Canonical SMILES representation is C1=CC=C2C(=C1)C=C(N=C2Cl)Cl.

What is the InChIKey of 1,3-Dichloroisoquinoline?

The InChIKey is BRGZEQXWZWBPJH-UHFFFAOYSA-N.

What is the CAS number of 1,3-Dichloroisoquinoline?

The CAS number is 7742-73-6.

What is the XLogP3-AA value of 1,3-Dichloroisoquinoline?

The XLogP3-AA value is 4.

How many hydrogen bond donor counts does 1,3-Dichloroisoquinoline have?

It has 0 hydrogen bond donor counts.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 86-94-2

• 7742-73-6

Reference: [1]Robison
[Journal of the American Chemical Society, 1958, vol. 80, p. 5481]

Downstream Synthesis Route 1

• 7742-73-6

• 19493-45-9

Reference: [1] Patent: WO2010/45401, 2010, A1, . Location in patent: Page/Page column 88

Downstream Synthesis Route 2

• 7742-73-6

• 119-65-3
• 19493-45-9

Reference: [1] Journal of Molecular Catalysis A: Chemical, 2014, vol. 393, p. 191 - 209

Downstream Synthesis Route 3

• 7742-73-6
• 7440-31-5

• 19493-45-9

Reference: [1] Patent: US2003/158188, 2003, A1,

Downstream Synthesis Route 4

• 7742-73-6

• 19493-45-9

Reference: [1]Patent: WO2010/45401,2010,A1 .Location in patent: Page/Page column 88

Downstream Synthesis Route 5

• 7742-73-6

• 119-65-3
• 91-21-4

Reference: [1]Patent: WO2010/45401,2010,A1 .Location in patent: Page/Page column 88

* For details of the synthesis route, please refer to the original source to ensure accuracy.