Chlorobutanol

Name: Chlorobutanol (CAS 57-15-8) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-02T10:45:24Z
Duration: 3 s
Channel: MolGod Scientific
Description: Chlorobutanol (CAS 57-15-8) – space-filling 3D model – rotation animation, MolGod Viewer

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

Full record: Chlorobutanol — Safety Data Sheet →

Model views

ball-and-stick 3D model
skeletal 3D model
space-filling 3D model – rotation animation
2D structure

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ENGRAVEDNORMAL

Chlorobutanol (CAS 57-15-8), C4H7Cl3O - 3D ball-and-stick molecular model, engraved element symbols (C H Cl O), MolGod STL preview

MG_828-442-474-80 · engraved · 187,578 △ · 9 MB · SHA-256 3da27a4c70c9686c

Download 3D model: Chlorobutanol, C₄H₇Cl₃O, CAS 57-15-8 · ENGRAVED (C, H, Cl, O) · 9 MB

Chlorobutanol (CAS 57-15-8), C4H7Cl3O - 3D ball-and-stick molecular model, MolGod STL preview

MG_828-442-474-80 · normal · 6,144 △ · 300 KB · SHA-256 1a7d6f8cb4e7bb26

Download 3D model: Chlorobutanol, C₄H₇Cl₃O, CAS 57-15-8 · NORMAL · 300 KB

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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 Å², 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₄H₇Cl₃O
Molar mass	177.45 g/mol
IUPAC	1,1,1-trichloro-2-methylpropan-2-ol
SMILES	`CC(C)(C(Cl)(Cl)Cl)O`
InChIKey	`OSASVXMJTNOKOY-UHFFFAOYSA-N`
logP (XLogP3)	2
PSA	20.2 Å²
HBD / HBA	1 / 1
PubChem CID	CID 5977 ↗

GHS safety

Signal word: Warning

GHS07

H302 — Harmful if swallowed

Scientific literature

Related literature

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

Chlorobutanol toxicity.

Nordt SP (1996) · The Annals of pharmacotherapy

$ PaywallPubMed ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

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

📊 PubChem CID 5977 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Tetrapotassium Etidronate CAS 67953-76-8 · C₂H₇KO₇P₂ Similar structure · Tanimoto 0.32 Tetrasodium Etidronate CAS 3794-83-0 · C₂H₄Na₄O₇P₂ Similar structure · Tanimoto 0.32 Etidronate Disodium CAS 7414-83-7 · C₂H₆Na₂O₇P₂ Similar structure · Tanimoto 0.30 Monosodium etidronate CAS 29329-71-3 · C2H7NaO7P2 Similar structure · Tanimoto 0.27 Neopentyl glycol CAS 126-30-7 · C5H12O2 Similar structure · Tanimoto 0.25 Methyl ethyl ketone peroxide CAS 1338-23-4 · C8H18O6 Shared hazard H302

📜 License & provenanceMolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: Chlorobutanol · 57-15-8
InChIKey: OSASVXMJTNOKOY-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — Chlorobutanol (CAS 57-15-8)
License & provenance record: Chlorobutanol (CAS 57-15-8) →
MolGod molecule record: Chlorobutanol →
Source data: PubChem CID 5977 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 1a7d6f8cb4e7bb2604c4143f1fb1aa2cb5b77fb3cd63cb30d13218565c5732f5
MD5 (STL): 342b500e617fdd0429d6a0fc58f8944d
MolGod Identification Number: MG_828-442-474-80
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: STL · PNG

📄 Download 3D model: Chlorobutanol, C₄H₇Cl₃O, CAS 57-15-8 · NORMAL · 300 KB 📄 Download 3D model: Chlorobutanol, C₄H₇Cl₃O, CAS 57-15-8 · ENGRAVED (C, H, Cl, O) · 9 MB

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