1-Bromo-2-ethylhexane

CAT: 0127-OR460077-01Size: 500 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR460077-01Size:500 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

18908-66-2

MDL Number

MFCD00000220

Purity

99%

Smiles

CCCCC(CC)CBr

Storage Conditions

Store at 2-8°C

Chemical Information

2-Ethylhexyl bromide

CAS Number	18908-66-2
PubChem CID	86804
IUPAC Name	3-(bromomethyl)heptane
Molecular Formula	C8H17Br
Molecular Weight	193.12
XLogP	4.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	52

SMILES

CCCCC(CC)CBr

InChI

InChI=1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3

InChIKey

NZWIYPLSXWYKLH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18908-66-2

CID: 86804

Formula: C8H17Br

MW: 193.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.12
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Exact Mass	192.05136
Monoisotopic Mass	192.05136
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	52.5
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
OR89807	2-Ethylhexane-1,3-diol
OR1052919-01	2-Ethylhexane-1,5-diol
OR96420	4,4'- (2-Ethylhexane-1,1-diyl) diphenol
PC1353	1-Bromo-2- (2-bromo-1-chlorotrifluoroethyl) cyclohexane
PC1007514-01	1-Bromo-4- (2-bromo-1,1,2,2-tetrafluoro-ethoxy) benzene
OR83706-01	2-Bromo-1- (2-bromo-4-nitrophenyl) ethanone
OR1052163-01	2-Bromo-1- (2-bromo-5-chlorophenyl) ethanone
OR1003355-01	1-Bromo-1,2,2-trichloroethane
OR1088751-01	2-Bromo-1- (4-bromo-2-chlorophenyl) ethanone
OR1037789-01	2-Bromo-1- (5-bromo-2-hydroxyphenyl) ethanone