2-Bromo-3-methylaniline

CAS 54879-20-8  ·  C7H8BrN  ·  MW 186.05 g/mol

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3D model 2-Bromo-3-methylaniline, CAS 54879-20-8, molecular formula C7H8BrN, molar mass 186.05 g/mol
About 2-Bromo-3-methylaniline

2-Bromo-3-methylaniline is a chemical compound registered under number CAS 54879-20-8, with the molecular formula C7H8BrN, and a molar mass of 186.05 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 2-bromo-3-methylaniline. 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 = 2.3 (positive value, a lipophilic compound), polar surface area PSA = 26 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 formulaC7H8BrN
Masa molowa186.05 g/mol
IUPAC2-bromo-3-methylaniline
SMILESCC1=C(C(=CC=C1)N)Br
InChIKeyVJNUZLYTGSGDHR-UHFFFAOYSA-N
logP (XLogP3)2.3
PSA26 Ų
HBD / HBA1 / 1
PubChem CIDCID 603781 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H317 — Może powodować reakcję alergiczną skóry

Scientific literature

Related literature

15 articles · 11 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

2014: 1 articles20142015: 1 articles2016: 1 articles2017: 1 articles2019: 4 articles20192020: 1 articles2021: 1 articles2024: 3 articles2025: 1 articles2025

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

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

Synonyms
2-Bromo-3-methylaniline · 54879-20-8 · RefChem:466329 · DTXCID80296404 · 627-752-8 · Benzenamine, 2-bromo-3-methyl- · MFCD06411367 · 2-bromo-3-methyl-phenylamine · 2-bromo-3-methyl aniline · SCHEMBL5768 · 2-Bromo-3-methylaniline, 98% · CL8387 · 3-Amino-2-bromotoluene · AKOS015835169 · CS-W007900
Data sources
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Model
2-Bromo-3-methylaniline · 54879-20-8
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MolGod Scientific
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Source data
PubChem CID 603781 ↗
SHA-256 (STL)
4f5e81c65c33ab94b6cfd5eec42da8892d3ace5b5b1909750d29df82f150774e
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