1,2-Dichlorobutane

CAT: 0024-sc-222826Size: 10 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-222826Size:10 mL

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CAS Number

616-21-7

Chemical Information

1,2-Dichlorobutane

CAS Number	616-21-7
PubChem CID	12017
IUPAC Name	1,2-dichlorobutane
Molecular Formula	C4H8Cl2
Molecular Weight	127.01
XLogP	2.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	28

SMILES

CCC(CCl)Cl

InChI

InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3

InChIKey

PQBOTZNYFQWRHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 616-21-7

CID: 12017

Formula: C4H8Cl2

MW: 127.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.01
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	126.0003056
Monoisotopic Mass	126.0003056
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	28.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-486347	2,2-Dichlorobutane
sc-505902	2,3-Dichlorobutane
sc-222958	1,3-Dichlorobutane
sc-237759	1,4-Dichlorobutane
sc-485955	1-Bromo-3,4-dichlorobutane
sc-213528	1,4-Dichlorobutane-2S-3S-diol
sc-206576	(2S,3S) -1,4-Dichlorobutane-diol Sulfate
sc-206566	2S-t-Butyldimethylsilyloxy-3R- (t-Boc) -amino-1,4-dichlorobutane
sc-223122	1,8-Dichlorooctane
sc-223122A	1,8-Dichlorooctane