Chlorine (CAS 7782-50-5)

Chlorine

CAS 7782-50-5  ·  Cl2  ·  MW 70.90 g/mol

Chlorine (CAS 7782-50-5) — full MolGod record →
Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
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3D模型Chlorine，CAS 7782-50-5，分子式Cl2, 摩尔质量 70.90 g/mol

模型视图

  • Chlorine (CAS 7782-50-5) – 3D球棍模型, MolGod Viewer
    3D球棍模型
  • Chlorine (CAS 7782-50-5) – 3D骨架模型, MolGod Viewer
    3D骨架模型
  • 3D空间填充模型 – 旋转动画
  • Chlorine (CAS 7782-50-5) – 二维结构, MolGod Viewer
    二维结构

© 2026 MolGod.org。保留所有权利。 · 图片版权

🖨️ 3D 打印模型与许可PREDICTED MODEL · NOT VERIFIEDMolGod_Print3D_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/24526
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Chlorine (CAS 7782-50-5), Cl2 - 3D ball-and-stick molecular model, engraved element symbols (Cl), MolGod STL preview下载图片

MG_814-881-727-36 · engraved · 36,344 △ · 2 MB · SHA-256 0ce466a415666aa1

下载 3D 模型: Chlorine, Cl2, CAS 7782-50-5 · ENGRAVED (Cl) · 2 MB

Chlorine (CAS 7782-50-5), Cl2 - 3D ball-and-stick molecular model, MolGod STL preview下载图片

MG_814-881-727-36 · normal · 736 △ · 36 KB · SHA-256 0cc884ca85030467

下载 3D 模型: Chlorine, Cl2, CAS 7782-50-5 · NORMAL · 36 KB

许可与来源 ↓

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关于 Chlorine (CAS 7782-50-5)

Chlorine (CAS 7782-50-5) 是一种化学品，登记号为 CAS 7782-50-5，分子式为 Cl2，摩尔质量为 70.90 g/mol。

该分子包含 2 个原子，通过 1 个化学键连接。 该化合物的完整系统 IUPAC 名称为 molecular chlorine。 上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面， 分配系数 logP = 1.6 (正值，亲脂性化合物)，极性表面积 PSA = 0 Ų，0 个氢键供体和 0 个氢键受体。 这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。交互式3D模型和查看器图像受版权保护（© MolGod.org）——使用条款：molgod.org/copyright/。

理化性质
Molecular formulaCl2
Molar mass70.90 g/mol
IUPACmolecular chlorine
SMILESClCl
InChIKeyKZBUYRJDOAKODT-UHFFFAOYSA-N
logP (XLogP3)1.6
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 24526 ↗
GHS 安全

信号词: 危险

GHS03
GHS03
GHS06
GHS06
GHS07
GHS07
GHS09
GHS09

H270 — 可能导致或加剧燃烧；氧化剂

H331 — 吸入可中毒

H335 — 可引起呼吸道刺激

H315 — 造成皮肤刺激

H319 — 造成严重眼刺激

H400 — 对水生生物毒性极大

科学文献

Related literature

20 articles · 19 open access · Sources: PubMed, OpenAlex, Semantic Scholar

筛选：导出：📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 发表时间线（文章数：20）

2015：文章数 120152025：文章数 320252026：文章数 162026

柱高 = 当年的文章数量。将鼠标悬停在柱上可查看详情。

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

同义词
CHLORINE · Molecular chlorine · 7782-50-5 · dichlorine · Bertholite · Chlorine gas · Chlorinum · Chloor · Chlore · Chlor · Cloro · Chlorine mol. · Chlorine 35 · UN 1017 · 4R7X1O2820
数据来源
相关分子
📜 许可与来源PREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/24526
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
模型
Chlorine · 7782-50-5
InChIKey
KZBUYRJDOAKODT-UHFFFAOYSA-N
许可协议
CC BY-SA 4.0 International (来源权利 未确定 — 尚未授予)
署名
MolGod Scientific — Chlorine (CAS 7782-50-5)
许可与来源记录
Chlorine (CAS 7782-50-5) →
MolGod 分子记录
Chlorine →
源数据
PubChem CID 24526 ↗
模型信息
由 MolGod 生成的 STL · MolGod STL Exporter build 59d3f622957e · 生成于 2026-10-08
SHA-256 (STL)
0cc884ca850304673294641d26d6ceeef8591049cc73d340df9922178bc3c011
MD5 (STL)
5c8c96d007c8d74ed84498efdc63dfb5
MolGod Identification Number
MG_814-881-727-36
转换
MolGod Scientific 球棍模型网格
更改
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
尚未发布
可免费打印的分子模型
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