Phenol, 4-(1,1-dimethylethyl)-2-nitro-

CAS 3279-07-0  ·  C10H13NO3  ·  MW 195.21 g/mol

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3D model Phenol, 4-(1,1-dimethylethyl)-2-nitro-, CAS 3279-07-0, molecular formula C10H13NO3, molar mass 195.21 g/mol
About Phenol, 4-(1,1-dimethylethyl)-2-nitro-

Phenol, 4-(1,1-dimethylethyl)-2-nitro- is a chemical compound registered under number CAS 3279-07-0, with the molecular formula C10H13NO3, and a molar mass of 195.21 g/mol.

The molecule contains 27 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 4-tert-butyl-2-nitrophenol. 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 = 3.7 (positive value, a lipophilic compound), polar surface area PSA = 66.1 Ų, 1 donors and 3 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 formulaC10H13NO3
Masa molowa195.21 g/mol
IUPAC4-tert-butyl-2-nitrophenol
SMILESCC(C)(C)C1=CC(=C(C=C1)O)[N+](=O)[O-]
InChIKeyIHGNADPMUSNTJW-UHFFFAOYSA-N
logP (XLogP3)3.7
PSA66.1 Ų
HBD / HBA1 / 3
PubChem CIDCID 18661 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

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

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

📈 Publication timeline (7 articles)

2015: 1 articles20152016: 1 articles2017: 1 articles20172018: 3 articles2024: 1 articles2024

Bar height = number of articles per year. Hover dla szczegółów.

(2018) · Encyclopedia of Signaling Molecules
$ PaywallDOI ↗
(2018) · Encyclopedia of Signaling Molecules
$ PaywallDOI ↗
(2018) · Encyclopedia of Signaling Molecules
$ PaywallDOI ↗

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

Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Phenol, 4-(1,1-dimethylethyl)-2-nitro- — CAS 3279-07-0

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

MolGod License & Provenance Record:
Phenol, 4-(1,1-dimethylethyl)-2-nitro- (CAS 3279-07-0) — License & Provenance

Source:
Phenol, 4-(1,1-dimethylethyl)-2-nitro- (CAS 3279-07-0) — MolGod molecule record

Source data: PubChem CID 18661

STL: Download 3D model (549 KB)

SHA-256: dc2436e402ab4d927da599c10ea3f2b83ea014421cea9ee29cbbe8ab48a9e83a

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Source data: PubChem CID 18661

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