262595

Perhydroisoquinoline

96%

• Synonym(s): Decahydroisoquinoline
• Empirical Formula (Hill Notation): C₉H₁₇N
• CAS Number: 6329-61-9
• Molecular Weight: 139.24
• EC Number: 228-702-4
• MDL number: MFCD00012096
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855879
• NACRES: NA.22

Properties

• Assay: 96%
• composition: (mixture of cis and trans)
• refractive index: n20/D 1.4904 (lit.)
• bp: 211-214 °C (lit.)
• density: 0.936 g/mL at 25 °C (lit.)
• SMILES string: C1CCC2CNCCC2C1
• InChI: 1S/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2
• InChI key: NENLYAQPNATJSU-UHFFFAOYSA-N

Description

General description

Spectroscopic investigations of charge-transfer complexes of perhydroisoquinoline with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone, p-chloranil and 7,7′,8,8′-tetracyanoquinodimethane has been reported.

Application

Perhydroisoquinoline has been used in the synthesis of nelfinavir mesylate.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 174.2 °F - closed cup
• Flash Point(C): 79 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves