1,3-Dichlorobutane

• CAS: 1190-22-3
• Catalog Number: ACM1190223
• Category: Alkyl
• Molecular Weight: 127.01
• Molecular Formula: C₄H₈Cl₂
• Synonyms: 1,3-DICHLOROBUTANE
• IUPAC Name: 1,3-dichlorobutane
• Canonical SMILES: CC(CCCl)Cl
• InChI Key: QBGVARBIQGHVKR-UHFFFAOYSA-N
• Boiling Point: 134ºC at 760 mmHg
• Flash Point: 30.6ºC
• Density: 1.115 g/mL at 25ºC(lit.)
• Appearance: clear, colorless liquid
• EC Number: 214-718-9
• Exact Mass: 126.00000
• Hazard Statements: H226
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Packing Group: III
• RIDADR: NONH for all modes of transport
• Safety Description: 16-26-27-33-36/37/39
• Symbol: GHS02
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 1,3-Dichlorobutane?

The molecular formula of 1,3-Dichlorobutane is C4H8Cl2.

What is the molecular weight of 1,3-Dichlorobutane?

The molecular weight of 1,3-Dichlorobutane is 127.01 g/mol.

What is the IUPAC name of 1,3-Dichlorobutane?

The IUPAC name of 1,3-Dichlorobutane is 1,3-dichlorobutane.

What is the InChI of 1,3-Dichlorobutane?

The InChI of 1,3-Dichlorobutane is InChI=1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3.

What is the InChIKey of 1,3-Dichlorobutane?

The InChIKey of 1,3-Dichlorobutane is QBGVARBIQGHVKR-UHFFFAOYSA-N.

What is the canonical SMILES of 1,3-Dichlorobutane?

The canonical SMILES of 1,3-Dichlorobutane is CC(CCCl)Cl.

What is the CAS number of 1,3-Dichlorobutane?

The CAS number of 1,3-Dichlorobutane is 1190-22-3.

What is the European Community (EC) number of 1,3-Dichlorobutane?

The European Community (EC) number of 1,3-Dichlorobutane is 214-718-9.

What is the XLogP3-AA value of 1,3-Dichlorobutane?

The XLogP3-AA value of 1,3-Dichlorobutane is 2.2.

Is 1,3-Dichlorobutane a canonicalized compound?

Yes, 1,3-Dichlorobutane is a canonicalized compound.