1-Chloro-4-phenylbutane

• CAS: 4830-93-7
• Catalog Number: ACM4830937
• Category: Aryl
• Molecular Weight: 168.66
• Molecular Formula: C₁₀H₁₃Cl
• Synonyms: 4-Phenylbutyl chloride, (4-Chlorobutyl)benzene, 1-Chloro-4-phenylbutane, Benzene, (4-chlorobutyl)-, 461776_ALDRICH, CID78543, EINECS 225-408-8, BBV-5725998, 4830-93-7
• IUPAC Name: 4-chlorobutylbenzene
• Canonical SMILES: C1=CC=C(C=C1)CCCCCl
• InChI Key: FLLZCZIHURYEQP-UHFFFAOYSA-N
• Boiling Point: 125-128ºC (20 torr)
• Flash Point: 104ºC
• Density: 1.026
• Appearance: clear colorless liquid
• EC Number: 225-408-8
• Exact Mass: 168.07100
• Hazard Statements: H315-H319-H335-H411
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: UN 1760 8 / PGIII
• Safety Description: S24/25
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1-Chloro-4-phenylbutane?

The molecular formula is C10H13Cl.

What is the molecular weight of 1-Chloro-4-phenylbutane?

The molecular weight is 168.66 g/mol.

What is the IUPAC name of 1-Chloro-4-phenylbutane?

The IUPAC name is 4-chlorobutylbenzene.

What is the InChI of 1-Chloro-4-phenylbutane?

The InChI is InChI=1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.

What is the InChIKey of 1-Chloro-4-phenylbutane?

The InChIKey is FLLZCZIHURYEQP-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Chloro-4-phenylbutane?

The canonical SMILES is C1=CC=C(C=C1)CCCCCl.

What is the CAS number of 1-Chloro-4-phenylbutane?

The CAS number is 4830-93-7.

What is the European Community (EC) number of 1-Chloro-4-phenylbutane?

The European Community (EC) number is 225-408-8.

What is the DSSTox Substance ID of 1-Chloro-4-phenylbutane?

The DSSTox Substance ID is DTXSID20197486.

Is 1-Chloro-4-phenylbutane a canonicalized compound?

Yes, it is canonicalized according to PubChem.