1-Chloroheptane

• CAS: 629-06-1
• Catalog Number: ACM629061
• Category: Alkyl
• Molecular Weight: 134.65g/mol
• Molecular Formula: C7H15Cl
• Description: 1-chloroheptane is a colorless liquid. Insoluble in water.
• IUPAC Name: 1-chloroheptane
• Canonical SMILES: CCCCCCCCl
• InChI: InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3
• InChI Key: DZMDPHNGKBEVRE-UHFFFAOYSA-N
• Boiling Point: 159.0 °C
• Melting Point: -69.5 °C
• Solubility: 1.01e-04 M
• Complexity: 35.4
• Covalently-Bonded Unit Count: 1
• EC Number: 211-070-9
• Exact Mass: 134.086228g/mol
• Formal Charge: 0
• Hazard Statements: H226
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 8
• LogP: 4.15 (LogP)
• Monoisotopic Mass: 134.086228g/mol
• RIDADR: UN 1993C 3 / PGIII
• Rotatable Bond Count: 5
• Symbol: GHS02
• UNII: 2F3Z1E37X5
• UN Number: 1993
• Vapor Pressure: 2.82 mmHg
• XLogP3: 4.2

Custom Q&A

What is the molecular formula of 1-Chloroheptane?

The molecular formula of 1-Chloroheptane is C7H15Cl.

Is 1-Chloroheptane soluble in water?

No, 1-Chloroheptane is insoluble in water.

What is the molecular weight of 1-Chloroheptane?

The molecular weight of 1-Chloroheptane is 134.65 g/mol.

What is the IUPAC name of 1-Chloroheptane?

The IUPAC name of 1-Chloroheptane is 1-chloroheptane.

What is the InChI of 1-Chloroheptane?

The InChI of 1-Chloroheptane is InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3.

What is the InChIKey of 1-Chloroheptane?

The InChIKey of 1-Chloroheptane is DZMDPHNGKBEVRE-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Chloroheptane?

The canonical SMILES of 1-Chloroheptane is CCCCCCCCl.

What is the CAS number of 1-Chloroheptane?

The CAS number of 1-Chloroheptane is 629-06-1.

What is the EC number of 1-Chloroheptane?

The EC number of 1-Chloroheptane is 211-070-9.

What is the XLogP3 value of 1-Chloroheptane?

The XLogP3 value of 1-Chloroheptane is 4.2.