1-Bromopentane

CAT: 0572-TRC-B686245-5GSize: 5 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-B686245-5GSize:5 g

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CAS Number

110-53-2

Synonyms

1-Bromopentane; 1-Pentyl Bromide; Amyl Bromide; NSC 7895; Pentyl Bromide; n-Amyl Bromide; n-Pentyl Bromide

Hazard Statement

Flammable liquid and vapour; UN number: UN1993; Packing Group: III

Smiles

CCCCCBr

Molecular Formula

C5H11Br

Molecular Weight

151.04

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

1-Bromopentane

1-bromopentane has been reported in Fucus vesiculosus with data available.

CAS Number	110-53-2
PubChem CID	8057
IUPAC Name	1-bromopentane
Molecular Formula	C5H11Br
Molecular Weight	151.04
XLogP	3.4
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	19

SMILES

CCCCCBr

InChI

InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3

InChIKey

YZWKKMVJZFACSU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110-53-2

CID: 8057

Formula: C5H11Br

MW: 151.04

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	151.04
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	150.00441
Monoisotopic Mass	150.00441
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	19.9
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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1-Bromopentane

Chemical Information

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