4-Chlorocinnamaldehyde

• Catalog Number: ACM49678026
• Product Name: 4-Chlorocinnamaldehyde
• CAS: 49678-02-6
• Category: Alkenes
• Synonyms: 4-Chloro-trans-cinnamaldehyde
• IUPAC Name: (E)-3-(4-Chlorophenyl)prop-2-enal
• Molecular Weight: 166.6
• Canonical SMILES: C1=CC(=CC=C1C=CC=O)Cl
• InChI: InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
• InChI Key: HONRSHHPFBMLBT-OWOJBTEDSA-N
• Boiling Point: 115 °C
• Melting Point: 57-63 °C
• Density: 1.192±0.06 g/cm³
• Exact Mass: 166.0185425
• Hazard Statements: H226-H315-H411
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C=O)Cl
• Monoisotopic Mass: 166.0185425
• Physical State: Crystalline
• Storage Conditions: Inert atmosphere,under -20 °C
• Symbol: GHS02
• Topological Polar Surface Area: 17.1 Ų

Custom Q&A

What is the PubChem CID for 4-Chlorocinnamaldehyde?

The PubChem CID for 4-Chlorocinnamaldehyde is 5924929.

What is the molecular formula of 4-Chlorocinnamaldehyde?

The molecular formula of 4-Chlorocinnamaldehyde is C9H7ClO.

What is the molecular weight of 4-Chlorocinnamaldehyde?

The molecular weight of 4-Chlorocinnamaldehyde is 166.60 g/mol.

What is the IUPAC name of 4-Chlorocinnamaldehyde?

The IUPAC name of 4-Chlorocinnamaldehyde is (E)-3-(4-chlorophenyl)prop-2-enal.

What is the InChI of 4-Chlorocinnamaldehyde?

The InChI of 4-Chlorocinnamaldehyde is InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+.

What is the InChIKey of 4-Chlorocinnamaldehyde?

The InChIKey of 4-Chlorocinnamaldehyde is HONRSHHPFBMLBT-OWOJBTEDSA-N.

What are the synonyms of 4-Chlorocinnamaldehyde?

The synonyms of 4-Chlorocinnamaldehyde include 49678-02-6, 1075-77-0, and 3-(4-Chlorophenyl)acrylaldehyde.

How many hydrogen bond donor counts are there in 4-Chlorocinnamaldehyde?

There are 0 hydrogen bond donor counts in 4-Chlorocinnamaldehyde.

How many hydrogen bond acceptor counts are there in 4-Chlorocinnamaldehyde?

There is 1 hydrogen bond acceptor count in 4-Chlorocinnamaldehyde.

How many rotatable bond counts are there in 4-Chlorocinnamaldehyde?

There are 2 rotatable bond counts in 4-Chlorocinnamaldehyde.