基本情報
- 標準SMILES
OCl- InChIKey
QWPPOHNGKGFGJK-UHFFFAOYSA-N- 分子式
- ClHO
- 平均分子量
- 52.46 g/mol
- 単同位体質量
- 51.97159233
概要
Hypochlorous acid is a chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 2.5.1.18 (glutathione transferase) inhibitor and a human metabolite. It is a member of reactive oxygen species and a chlorine oxoacid. It is a conjugate acid of a hypochlorite.
名称と識別子
- 優先名称
- Hypochlorous Acid
- IUPAC
- hypochlorous acid
- 英語名
- Hypochlorous acid
- 分子式
- ClHO
- 分子量
- 52.46
名称と別名
名称をさらに表示
データベース識別子
- CAS
14380-61-1、7790-92-3- PubChem CID
- 24341
- DTXSID
DTXSID3036737- ChEMBL
CHEMBL1616046- ChEBI
CHEBI:24757- UNII
- 712K4CDC10
- EC Number
- 232-232-5
- Nikkaji
- J202.839E
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 2
- 形式電荷
- 0
- 複雑度
- 2
実験および物理化学的性質
Food Contact Substances
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical Description
Liquid
Found only in aqueous solution; Greenish-yellow liquid; [Merck Index] Very unstable; [Hawley] Decomposes exothermically to HCl and O2; [Ullmann]
Solid
物理化学的性質
- 沸点
- 125 · 125-130 °C(Press: 11 Torr)
- 比重(密度)
- 1.1655 g/cm3 · 1.1655 g/cm3
- 酸解離定数(Pka)
- 7.54 · 7.54±0.10(Predicted)
安全と法規制
GHS分類
危険有害性情報
Regulatory Information
Hypochlorous acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hypochlorous acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hypochlorous acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
A strong oxidizing agent; [Merck Index] A skin and eye irritant; Weak and unstable acid--exists only in dilute solutions; [Hawley] Hypochlorites are used as bleaching agents and disinfectants (swimming pools); they are derived from hypochlorous acid. Hypochlorites have caused hand, diffuse, or periulcerous dermatitis . . . [Kanerva, p. 1803-4] See Hydrogen chloride.
化学と産業
薬理情報
用途と製造
Uses
Used as a disinfectant; [Merck Index] Used for textile and fiber bleaching, for water purification, and as an antiseptic; [Hawley] Not used much because of its instability; Hypochlorites are used instead in drinking water and swimming pools; [Ullmann]
Pulp and Paper Processing [Category: Industry]
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Hypochlorous acid: ACTIVE
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