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Structure

3,4-Dichloro-1-butene

CAS
760-23-6
Catalog Number
ACM760236
Category
Other Products
Molecular Weight
125
Molecular Formula
C4H6Cl2

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Specification

Synonyms
1,2-Dichlorobut-3-ene;1-butene,3,4-dichloro-;3,4-dichloro-1-buten;3,4-dichloro-but-1-ene;3,4-dichlorobut-1-ene;3,4-dichlorobutene;1,2-DICHLORO-3-BUTENE;3,4-DICHLORO-1-BUTENE
Boiling Point
123°C(lit.)
Melting Point
-61°C(lit.)
Flash Point
83°F
Density
1.15g/mL at 25°C(lit.)
Hazard Statements
C
Safety Description
16-26-36/37/39-45
Supplemental Hazard Statements
H226-H302+H332-H314-H402
Symbol
GHS02,GHS05,GHS07
What is the IUPAC name for the chemical with PubChem CID 12971?

The IUPAC name is 3,4-dichlorobut-1-ene.

What is the molecular formula of the chemical with PubChem CID 12971?

The molecular formula is C4H6Cl2.

What is the molecular weight of the chemical with PubChem CID 12971?

The molecular weight is 124.99 g/mol.

What is the Canonical SMILES for the chemical with PubChem CID 12971?

The Canonical SMILES is C=CC(CCl)Cl.

What is the XLogP3-AA value for the chemical with PubChem CID 12971?

The XLogP3-AA value is 2.1.

How many hydrogen bond donor counts are there for the chemical with PubChem CID 12971?

There are 0 hydrogen bond donor counts.

How many rotatable bond counts are there for the chemical with PubChem CID 12971?

There are 2 rotatable bond counts.

What is the topological polar surface area for the chemical with PubChem CID 12971?

The topological polar surface area is 0.2.

How many defined atom stereocenter counts are there for the chemical with PubChem CID 12971?

There are 0 defined atom stereocenter counts.

How many covalently-bonded unit counts are there for the chemical with PubChem CID 12971?

There is 1 covalently-bonded unit count.

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