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

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📈 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 & provenanceMolGod_License_1
Model
Chlorobutanol · 57-15-8
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
Chlorobutanol (CAS 57-15-8) →
MolGod molecule record
Chlorobutanol →
Source data
PubChem CID 5977 ↗
SHA-256 (STL)
16a71778490bee6b35b2fbd99edc8e6dce8f23dd0f672e867f5922fc2562724f
Wikimedia Commons
not published yet
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