Chlorobutanol

CAS 57-15-8  ·  C4H7Cl3O  ·  MW 177.45 g/mol

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3D model Chlorobutanol, CAS 57-15-8, molecular formula C4H7Cl3O, molar mass 177.45 g/mol
About Chlorobutanol

Chlorobutanol is a chemical compound registered under number CAS 57-15-8, with the molecular formula C4H7Cl3O, and a molar mass of 177.45 g/mol.

The molecule contains 15 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is 1,1,1-trichloro-2-methylpropan-2-ol. 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 (positive value, a lipophilic compound), polar surface area PSA = 20.2 Ų, 1 donors and 1 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 formulaC4H7Cl3O
Masa molowa177.45 g/mol
IUPAC1,1,1-trichloro-2-methylpropan-2-ol
SMILESCC(C)(C(Cl)(Cl)Cl)O
InChIKeyOSASVXMJTNOKOY-UHFFFAOYSA-N
logP (XLogP3)2
PSA20.2 Ų
HBD / HBA1 / 1
PubChem CIDCID 5977 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

Scientific literature

Related literature

2 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (2 articles)

1981: 1 articles19811996: 1 articles1996

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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
Chlorobutanol · 57-15-8 · Chlorbutol · 1,1,1-trichloro-2-methylpropan-2-ol · 1,1,1-Trichloro-2-methyl-2-propanol · CHLORETONE · Acetone chloroform · Chloreton · Acetonchloroform · Acetochlorone · Clortran · Methaform · Sedaform · Anhydrous chlorobutanol · Coliquifilm
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Chlorobutanol — CAS 57-15-8

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

MolGod License & Provenance Record:
Chlorobutanol (CAS 57-15-8) — License & Provenance

Source:
Chlorobutanol (CAS 57-15-8) — MolGod molecule record

Source data: PubChem CID 5977

STL: Download 3D model (300 KB)

SHA-256: 16a71778490bee6b35b2fbd99edc8e6dce8f23dd0f672e867f5922fc2562724f

Wikimedia Commons: not published yet

Source data: PubChem CID 5977

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