1,2-Dichlorobutane

CAS
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Purity
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CAS
616-21-7
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Purity
96%
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Catalog Number

ACM616217

Product Name

1,2-Dichlorobutane

Structure

Structure

CAS

616-21-7

Category

Alkyl

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

Molecular Weight

127.01

Molecular Formula

C₄H₈Cl₂

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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 0Å².

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