1-CHLORO-2-METHYL-2-PROPANOL (CAS 558-42-9)

1-CHLORO-2-METHYL-2-PROPANOL (CAS 558-42-9) is a chemical compound registered under number CAS 558-42-9, with the molecular formula C₄H₉ClO, and a molar mass of 108.57 g/mol.

The molecule contains 15 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is 1-chloro-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 = 0.8 (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.

Wzór sumaryczny	C4H9ClO
Masa molowa	108.57 g/mol
IUPAC	1-chloro-2-methylpropan-2-ol
SMILES	CC(C)(CCl)O
InChIKey	JNOZGFXJZQXOSU-UHFFFAOYSA-N
logP (XLogP3)	0.8
PSA	20.2 Ų
HBD / HBA	1 / 1
PubChem CID	CID 68409 ↗

Sygnał: Uwaga

H226 — Łatwopalna ciecz i pary

1-Chloro-2-methyl-2-propanol · 1-Chloro-2-methylpropan-2-ol · EINECS 209-196-4 · JNOZGFXJZQXOSU-UHFFFAOYSA- · NSC 46574 · 1Chloro2methylpropan2ol · RefChem:431242 · DTXCID20126872 · 209-196-4 · 558-42-9 · 2-Propanol, 1-chloro-2-methyl- · 1-chloro-2-methyl-propan-2-ol · MFCD00021807 · Chloro-tert-butanol · NSC-46574

• 📊 PubChem CID 68409 — NIH
• 🔬 NIST WebBook — spektroskopia
• 💊 ChEMBL — bioaktywność

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