1-(Chloromethyl)-2,3-difluorobenzene

CAS 446-57-1  ·  C7H5ClF2  ·  MW 162.56 g/mol

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3D model 1-(Chloromethyl)-2,3-difluorobenzene, CAS 446-57-1, molecular formula C7H5ClF2, molar mass 162.56 g/mol
About 1-(Chloromethyl)-2,3-difluorobenzene

1-(Chloromethyl)-2,3-difluorobenzene is a chemical compound registered under number CAS 446-57-1, with the molecular formula C7H5ClF2, and a molar mass of 162.56 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is 1-(chloromethyl)-2,3-difluorobenzene. 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 = 2.5 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 2 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 formulaC7H5ClF2
Masa molowa162.56 g/mol
IUPAC1-(chloromethyl)-2,3-difluorobenzene
SMILESC1=CC(=C(C(=C1)F)F)CCl
InChIKeyOVUKQQRPTLPXTD-UHFFFAOYSA-N
logP (XLogP3)2.5
PSA0 Ų
HBD / HBA0 / 2
PubChem CIDCID 15850139 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS06
GHS06
GHS07
GHS07
GHS08
GHS08

H227 — Substancja ciekła palna

H302 — Działa szkodliwie po połknięciu

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

H331 — Działa toksycznie w następstwie wdychania

H335 — Może powodować podrażnienie dróg oddechowych

H341 — Podejrzewa się, że powoduje wady genetyczne

H351 — Podejrzewa się, że powoduje raka

Scientific literature

Related literature

14 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (14 articles)

1935: 3 articles19352002: 1 articles2010: 1 articles20102011: 1 articles2018: 1 articles2018

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
446-57-1 · 2,3-Difluorobenzyl chloride · 1-(Chloromethyl)-2,3-difluorobenzene · MFCD03095320 · 1-(Chloromethyl)-2,3-difluoro-benzene · Benzene, 1-(chloromethyl)-2,3-difluoro- · SCHEMBL1149651 · OVUKQQRPTLPXTD-UHFFFAOYSA-N · 1-Chloromethyl-2,3-difluoro-benzene · AKOS009311489 · AB13673 · AC-9729 · AS-59021 · EN300-330652 · F032747
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
1-(Chloromethyl)-2,3-difluorobenzene — CAS 446-57-1

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

MolGod License & Provenance Record:
1-(Chloromethyl)-2,3-difluorobenzene (CAS 446-57-1) — License & Provenance

Source:
1-(Chloromethyl)-2,3-difluorobenzene (CAS 446-57-1) — MolGod molecule record

Source data: PubChem CID 15850139

STL: Download 3D model (305 KB)

SHA-256: c66bc2ba0582b057bb8d310a78b23d0a308291b1375bbbcdf19bc1776f251c2f

Wikimedia Commons: not published yet

Source data: PubChem CID 15850139

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