1-Bromooctane(Octyl Bromide)

CAT: 0572-TRC-O273090-100GSize: 100 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-O273090-100GSize:100 g

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CAS Number

111-83-1

Synonyms

1-Octylbromide; NSC 9821; n-Octyl Bromide

Hazard Statement

Combustible liquid and vapour; UN number: UN3082; Packing Group: III

Purity

>95% (GC)

Smiles

CCCCCCCCBr

Molecular Formula

C8H17Br

Molecular Weight

193.12

Shipping Conditions

Room Temperature

Chemical Information

1-Bromooctane

CAS Number	111-83-1
PubChem CID	8140
IUPAC Name	1-bromooctane
Molecular Formula	C8H17Br
Molecular Weight	193.12
XLogP	4.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Heavy Atom Count	9
Formal Charge	0
Complexity	43

SMILES

CCCCCCCCBr

InChI

InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChIKey

VMKOFRJSULQZRM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-83-1

CID: 8140

Formula: C8H17Br

MW: 193.12

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	193.12
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	192.05136
Monoisotopic Mass	192.05136
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	43.8
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

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Alternative Products

Catalog	Name
165735	Octyl Bromide
OR1028929-01	(1-Octyl) Triphenylphosphonium Bromide
25516-32	N-Octyl Bromide
T8340-56G	8- (Tributylammonium) octyl Bromide
MBS6034460-01	8-(Tributylammonium)octyl Bromide
OR80353-01	Tributyl (octyl) phosphonium bromide
JH371431	Tributyl (octyl) azanium, bromide
OR1009567-01	1-Octyl-2,3-Dimethylimidazolium Bromide
030985-01	1-Bromo Octane (n-Octyl Bromide)
280188-01	Heptadecafluoro-n-octyl Bromide

1-Bromooctane(Octyl Bromide)

Chemical Information

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