Calcium hypochlorite

CAS 7778-54-3  ·  CaCl₂O₂  ·  MW 142.98 g/mol

Full record: Calcium hypochlorite — Safety Data Sheet →

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3D模型Calcium hypochlorite，CAS 7778-54-3，分子式CaCl₂O₂, 摩尔质量 142.98 g/mol
关于 Calcium hypochlorite

Calcium hypochlorite 是一种化学品，登记号为 CAS 7778-54-3，分子式为 CaCl₂O₂，摩尔质量为 142.98 g/mol。

该分子包含 5 个原子，通过 2 个化学键连接。 该化合物的完整系统 IUPAC 名称为 calcium dihypochlorite。 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， 极性表面积 PSA = 46.1 Ų，0 个氢键供体和 2 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 formulaCaCl₂O₂
Molar mass142.98 g/mol
IUPACcalcium dihypochlorite
SMILES[O-]Cl.[O-]Cl.[Ca+2]
InChIKeyZKQDCIXGCQPQNV-UHFFFAOYSA-N
logP (XLogP3)—
PSA46.1 Ų
HBD / HBA0 / 2
PubChem CIDCID 24504 ↗
GHS 安全

信号词: 危险

GHS03
GHS03
GHS05
GHS05
GHS07
GHS07
GHS09
GHS09

H272 — 可能加剧燃烧；氧化剂

H302 — 吞咽有害

H314 — 造成严重皮肤灼伤和眼损伤

H400 — 对水生生物毒性极大

EUH031 — 遇酸释放有毒气体

科学文献

Related literature

10 articles · 5 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 发表时间线（文章数：10）

1991：文章数 119912003：文章数 12023：文章数 22024：文章数 420242025：文章数 12026：文章数 12026

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
CALCIUM HYPOCHLORITE · 7778-54-3 · Calcium hypochloride · Hypochlorous acid, calcium salt · Bleaching powder · Pittchlor · Pittcide · Pittclor · Chemichlor G · Chlorine of lime · Solvox KS · T-Eusol · Chlorolime chemical · HTH (bleaching agent) · Calcium chlorohypochloride
数据来源
📜 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
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

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.

This substance consists of 3 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

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/24504
  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
Calcium hypochlorite · 7778-54-3
InChIKey
ZKQDCIXGCQPQNV-UHFFFAOYSA-N
许可与来源记录
Calcium hypochlorite (CAS 7778-54-3) →
MolGod 分子记录
Calcium hypochlorite →
源数据
PubChem CID 24504 ↗
模型信息
尚未发布

本许可适用于 MolGod 创建的 STL 网格，不自动适用于第三方源材料。

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