1,2-Dibromobutane

CAT: 0024-sc-222819Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-222819Size:25 g

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CAS Number

533-98-2

Chemical Information

1,2-Dibromobutane

CAS Number	533-98-2
PubChem CID	10792
IUPAC Name	1,2-dibromobutane
Molecular Formula	C4H8Br2
Molecular Weight	215.91
XLogP	2.7
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(CBr)Br

InChI

InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3

InChIKey

CZWSZZHGSNZRMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 533-98-2

CID: 10792

Formula: C4H8Br2

MW: 215.91

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.91
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	215.89723
Monoisotopic Mass	213.89928
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-230804	2,3-Dibromobutane
sc-237753	1,4-Dibromobutane
sc-222954	1,3-Dibromobutane
sc-235597	meso-2,3-Dibromobutane
sc-223038	1,4-Dibromobutane-d8
sc-237798	1,8-Dibromooctane
sc-477150	1,1':2',1'':2'',1'''-Quaterphenyl
sc-356265A	1,1,2,2-Tetraphenyl-1,2-ethanediol
sc-287218	1,2-Diethoxy-1,1,2,2-tetramethyldisilane
sc-264995	1,1,2,2-Tetramethyl-1,2-diphenyldisilane

Catalog	Name
AAA53398	1,2-Dibromobutane
D09140-01	1,2-Dibromobutane 98%
FAA40886	2,3-Dibromobutane
504004	1,4‐DIBROMOBUTANE
273907-01	1,4-Dibromobutane
OR9604-01	1,3-Dibromobutane
D09170-01	2 3-Dibromobutane 97%
HY-Y0350S1	1,4-Dibromobutane-d4
158763	1,4-Dibromobutane-d8
159847	(±) -2,3-Dibromobutane discontinued