2-(4-Chlorobutyl)-1,3-dioxolane

• CAS: 118336-86-0
• Catalog Number: ACM118336860
• Category: Other Products; Ortho Esters
• Molecular Weight: 164.63
• Molecular Formula: C₇H₁₃ClO₂
• Synonyms: 2-(4-Chlorobutyl)-1,3-dioxolane, 118336-86-0, 5-Chloro-n-valeraldehyde ethylene acetal, ACMC-20aops, AC1NPSIR, SureCN3791587, 24045_ALDRICH, 24045_FLUKA, CTK4B0643, 1,3-Dioxolane,2-(4-chlorobutyl)-, AKOS006222333, AG-D-40623, KB-14810, FT-0691229, I14-47660
• IUPAC Name: 2-(4-chlorobutyl)-1,3-dioxolane
• Canonical SMILES: C1COC(O1)CCCCCl
• InChI Key: GFTDGDAKGDUYGO-UHFFFAOYSA-N
• Boiling Point: 56-58ºC0.1 mm Hg(lit.)
• Flash Point: 85ºC
• Density: 1.109 g/mL at 20ºC(lit.)
• Exact Mass: 164.06000
• Hazard Statements: Xn: Harmful
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• RIDADR: UN 1993BE 3 / PGII
• Symbol: GHS02

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C7H13ClO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 164.63 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(4-chlorobutyl)-1,3-dioxolane.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H13ClO2/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-6H2.

What is the InChIKey of the compound?

The InChIKey of the compound is GFTDGDAKGDUYGO-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1COC(O1)CCCCCl.

What is the CAS number of the compound?

The CAS number of the compound is 118336-86-0.

What is the EC number of the compound?

The EC number of the compound is 629-649-3.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.5.

Is the compound considered as canonicalized?

Yes, the compound is considered as canonicalized.