1,2-Dichlorobutane

• CAS: 616-21-7
• Catalog Number: ACM616217
• Category: Alkyl
• Molecular Weight: 127.01
• Molecular Formula: C₄H₈Cl₂
• Synonyms: 1,2-DICHLOROBUTANE, Butane, 1,2-dichloro-, HSDB 5717, 105465_ALDRICH, NSC93880, EINECS 210-469-5, NSC 93880, LTBB001993, CID12017, LS-195267, TL8003906, 616-21-7, 35346-39-5
• IUPAC Name: 1,2-dichlorobutane
• Canonical SMILES: CCC(CCl)Cl
• InChI Key: PQBOTZNYFQWRHU-UHFFFAOYSA-N
• Boiling Point: 125ºC(lit.)
• Flash Point: 80 °F
• Density: 1.112
• EC Number: 210-469-5
• Exact Mass: 126.00000
• Hazard Statements: H301-H315-H318-H335-H412
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Packing Group: III
• RIDADR: NONH for all modes of transport
• Safety Description: S23-S24/25
• Symbol: GHS05
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 1,2-Dichlorobutane?

The molecular formula of 1,2-Dichlorobutane is C4H8Cl2.

What is the molecular weight of 1,2-Dichlorobutane?

The molecular weight of 1,2-Dichlorobutane is 127.01 g/mol.

What is the IUPAC name of 1,2-Dichlorobutane?

The IUPAC name of 1,2-Dichlorobutane is 1,2-dichlorobutane.

What is the InChI of 1,2-Dichlorobutane?

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

What is the InChIKey of 1,2-Dichlorobutane?

The InChIKey of 1,2-Dichlorobutane is PQBOTZNYFQWRHU-UHFFFAOYSA-N.

What is the canonical SMILES of 1,2-Dichlorobutane?

The canonical SMILES of 1,2-Dichlorobutane is CCC(CCl)Cl.

What is the CAS number of 1,2-Dichlorobutane?

The CAS number of 1,2-Dichlorobutane is 616-21-7.

What is the DSSTox Substance ID of 1,2-Dichlorobutane?

The DSSTox Substance ID of 1,2-Dichlorobutane is DTXSID8027244.

What is the XLogP3-AA value of 1,2-Dichlorobutane?

The XLogP3-AA value of 1,2-Dichlorobutane is 2.4.

What is the topological polar surface area of 1,2-Dichlorobutane?

The topological polar surface area of 1,2-Dichlorobutane is 0Ų.