S-1005 (CAS 10298-80-3)

4-Chloro-3-nitroanisole

CAS 10298-80-3  ·  C7H6ClNO3  ·  MW 187.58 g/mol

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3D model 4-Chloro-3-nitroanisole, CAS 10298-80-3, molecular formula C7H6ClNO3, molar mass 187.58 g/mol
About S-1005 (CAS 10298-80-3)

S-1005 (CAS 10298-80-3) is a chemical compound registered under number CAS 10298-80-3, with the molecular formula C7H6ClNO3, and a molar mass of 187.58 g/mol.

The molecule contains 18 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 1-chloro-4-methoxy-2-nitrobenzene. 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 = 2.2 (positive value, a lipophilic compound), polar surface area PSA = 55.1 Ų, 0 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
Wzór sumarycznyC7H6ClNO3
Masa molowa187.58 g/mol
IUPAC1-chloro-4-methoxy-2-nitrobenzene
SMILESCOC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChIKeyHISHUMDTGXICEZ-UHFFFAOYSA-N
logP (XLogP3)2.2
PSA55.1 Ų
HBD / HBA0 / 3
PubChem CIDCID 25140 ↗
GHS safety

Sygnał: Uwaga

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Brak artykułów naukowych dla CAS 10298-80-3 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
4-Chloro-3-nitroanisole · 1-Chloro-4-methoxy-2-nitrobenzene · Benzene, 1-chloro-4-methoxy-2-nitro- · RefChem:521371 · Benzene, 1-chloro-4-methoxy-2-nitro-(9CI) · 233-674-1 · 10298-80-3 · 2-Chloro-5-methoxynitrobenzene · ANISOLE, 4-CHLORO-3-NITRO- · MFCD00007077 · 1-Chloro-4-methoxy-2-nitro-Benzene · NSC-47339 · Iguratimod Impurity 15 · EINECS 233-674-1 · NSC 47339
Data sources
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