2-Bromobutane

CAS 78-76-2  ·  C4H9Br  ·  MW 137.02 g/mol

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3D model 2-Bromobutane, CAS 78-76-2, molecular formula C4H9Br, molar mass 137.02 g/mol
About 2-Bromobutane

2-Bromobutane is a chemical compound registered under number CAS 78-76-2, with the molecular formula C4H9Br, and a molar mass of 137.02 g/mol.

The molecule contains 14 atoms connected by 13 chemical bonds. The full systematic IUPAC name of this compound is 2-bromobutane. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.3 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 0 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC4H9Br
Masa molowa137.02 g/mol
IUPAC2-bromobutane
SMILESCCC(C)Br
InChIKeyUPSXAPQYNGXVBF-UHFFFAOYSA-N
logP (XLogP3)2.3
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 6554 ↗
GHS safety

Signal word: Danger

GHS02
GHS02

H225 — Wysoce łatwopalna ciecz i pary

Scientific literature

Related literature

2 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (2 articles)

1980: 1 articles19802006: 1 articles2006

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
2-Bromobutane · 78-76-2 · SEC-BUTYL BROMIDE · Butane, 2-bromo- · 2-Butyl bromide · Methylethylbromomethane · Secondary butyl bromide · SSI829JO4W · NSC-8417 · DTXCID201499 · (+-)-2-Bromobutane · RefChem:85855 · 201-140-7 · 1-Bromo-1-methylpropane · 2-Bromo-butane
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
2-Bromobutane — CAS 78-76-2

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
2-Bromobutane (CAS 78-76-2) — License & Provenance

Source:
2-Bromobutane (CAS 78-76-2) — MolGod molecule record

Source data: PubChem CID 6554

STL: Download 3D model (280 KB)

SHA-256: aeb2895dc1b1fef0b5a8fe39bf8df44730c3b8cceddbbee0ad39a48b3d939bac

Wikimedia Commons: not published yet

Source data: PubChem CID 6554

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