1,4-Dichlorobutane

CAT: 0024-sc-237759Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-237759Size:100 mL

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CAS Number

110-56-5

Chemical Information

1,4-Dichlorobutane

1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)

CAS Number	110-56-5
PubChem CID	8059
IUPAC Name	1,4-dichlorobutane
Molecular Formula	C4H8Cl2
Molecular Weight	127.01
XLogP	2.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	6
Formal Charge	0
Complexity	17

SMILES

C(CCCl)CCl

InChI

InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2

InChIKey

KJDRSWPQXHESDQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110-56-5

CID: 8059

Formula: C4H8Cl2

MW: 127.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.01
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	126.0003056
Monoisotopic Mass	126.0003056
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	17.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-D436008-5G	1,4-Dichlorobutane
TRC-D436009-5MG	1,4-Dichlorobutane-d8
D14250-01	1,4-Dichlorobutane 99%
D14220	1,1-Dichlorobutane
OR1027054-01	1,3-Dichlorobutane
OR1025102-01	1,2-Dichlorobutane
TRC-D433930-50MG	1,4-Dichlorobutane-2S-3S-diol
067895	1,4- Dichlorobutane for Synthesis (Tetramethylene dichloride)
OR90811-01	1,4-Dichlorobutane-2,3-diol
D14230	1,2-Dichlorobutane 98%