1,3-Dichlorobutane

CAS
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Purity
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CAS
1190-22-3
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM1190223

Product Name

1,3-Dichlorobutane

Structure

Structure

CAS

1190-22-3

Category

Alkyl

Synonyms

1,3-DICHLOROBUTANE;

IUPAC Name

1,3-dichlorobutane

Molecular Weight

127.01

Molecular Formula

C₄H₈Cl₂

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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.

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