基本情報
- 標準SMILES
c1ccc2c(c1)Oc1ccccc1[As]2O[As]1c2ccccc2Oc2ccccc21- InChIKey
VCRZAKVGPJFABU-UHFFFAOYSA-N- 分子式
- C24H16As2O3
- 平均分子量
- 502.2 g/mol
- 単同位体質量
- 501.95313737
概要
Phenoxarsine, 10,10'-oxydi- appears as a clear light yellow liquid with a mild odor. Insoluble in water and slightly denser than water. Contact may severely irritate skin, eyes, and mucous membranes.
名称と識別子
- 優先名称
- 10,10'-Oxybisphenoxarsine
- IUPAC
- 10-phenoxarsinin-10-yloxyphenoxarsinine
- 現地名
- ビス(10H-フェノキサルシン-10-イル)エーテル
- 英語名
- 10,10-Oxybisphenoxarsine
- 分子式
- C24H16As2O3
- 分子量
- 502.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
58-36-6- PubChem CID
- 6017
- DTXSID
DTXSID0032443- UNII
- 1R0GEE9L5Z
- EC Number
- 200-377-3
- Nikkaji
- J9.323H
物性
構造計算による物性
- 極性表面積
- 27.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 482
実験および物理化学的性質
Physical Description
Phenoxarsine, 10,10'-oxydi- appears as a clear light yellow liquid with a mild odor. Insoluble in water and slightly denser than water. Contact may severely irritate skin, eyes, and mucous membranes.
Colorless solid; [Merck Index] White crystalline solid; [MSDSonline]
物理化学的性質
- 融点
- 180 · 180-184°C
- 沸点
- 232.5 °C · 232.5°C
- 比重(密度)
- 1.4 · 1.40-1.42
- 貯蔵温度
- Sealed in dry,Room Temperature
- 外見
- 個体
- 色
- 2 · 無色または白色の結晶、EtOH または 2-プロパノールからの単斜晶プリズム
- 水溶解度
- 不溶性
- InChI
- InChI=1S/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H
- InChIKey
- VCRZAKVGPJFABU-UHFFFAOYSA-N
- SMILES
- O([As]1C2=CC=CC=C2OC2=C1C=CC=C2)[As]1C2=CC=CC=C2OC2=C1C=CC=C2
- CAS データベース
- 58 · 58-36-6(CAS DataBase Reference)
- EPAの化学物質情報
- 10 · 10,10'-Oxybisphenoxarsine (58-36-6)
化学的性質
化学的特性10-10′-Oxidiphenoxarsine is a colorless crystalline, organometallic solid or a dense yellow liquid. Odorless.
安全と法規制
GHS分類
GHS Classification
Danger
H300 (73.4%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 94 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 10H-Phenoxarsine, 10,10'-oxybis-
Restricted substance: Diphenoxarsin-10-yl oxide
10H-Phenoxarsine, 10,10'-oxybis-: 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.
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
Severely irritating to skin; Toxic by ingestion and inhalation; Oral LD50 (rat) = 40 mg/kg; [Sax] Retards growth and causes liver effects in high-dose feeding studies; No developmental, reproductive, or mutagenic effects; Arsenic accumulates in liver and kidneys of exposed animals with clearing 2 weeks after last exposure; The potential for occupational exposure to OBPA is minimal provided that OBPA is used in a closed system and that appropriate Personal Protective Equipment (PPE) is worn. [EPA REDs] An irritant that can cause skin burns; May be lethal if ingested or inhaled; May cause liver and kidney damage; [MSDSonline] Almost nothing is known regarding health effects of organic arsenic compounds in humans. Studies in animals show that some simple organic arsenic compounds are less toxic than inorganic forms. Ingestion of methyl and dimethyl compounds can cause diarrhea and damage to the kidneys. [ATSDR ToxProfiles]
安全と保護具
Protective Action Criteria (PAC)
1.3 [mg/m3]
14 [mg/m3]
84 [mg/m3]
Personal Protective Equipment (PPE)
For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)
毒性情報
Treatment
Arsenic poisoning can be treated by chelation therapy, using chelating agents such as dimercaprol, EDTA or DMSA. Charcoal tablets may also be used for less severe cases. In addition, maintaining a diet high in sulfur helps eliminate arsenic from the body. (L20)
Toxicity Summary
Arsenic and its metabolites disrupt ATP production through several mechanisms. At the level of the citric acid cycle, arsenic inhibits pyruvate dehydrogenase and by competing with phosphate it uncouples oxidative phosphorylation, thus inhibiting energy-linked reduction of NAD+, mitochondrial respiration, and ATP synthesis. Hydrogen peroxide production is also increased, which might form reactive oxygen species and oxidative stress. Arsenic's carginogenicity is influenced by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. The binding of other arsenic protein targets may also cause altered DNA repair enzyme activity, altered DNA methylation patterns and cell proliferation. (T1, A17)
Toxicity Data
LCLo (guinea pigs) = 141 mg/m3/2h
LD50: 40 mg/kg (Oral, Rat) (T14)
安全データ
- ridadr
- 1557
- 毒性
- LD50 orl-rat: 40 mg/kg TXCYAC 10,341,78
- hazard_class
- 6.1(a)
- packing_group
- II
- 有毒物質データの
- 58-36-6(Hazardous Substances Data)
化学と産業
薬理情報
Metabolism/Metabolites
Arsenic is absorbed mainly by inhalation or ingestion, as to a lesser extent, dermal exposure. It is then distributed throughout the body, where it is reduced into arsenite if necessary, then methylated into monomethylarsenic (MMA) and dimethylarsenic acid (DMA) by arsenite methyltransferase. Arsenic and its metabolites are primarily excreted in the urine. Arsenic is known to induce the metal-binding protein metallothionein, which decreases the toxic effects of arsenic and other metals by binding them and making them biologically inactive, as well as acting as an antioxidant. (L20)
用途と製造
Uses
Used to protect plastics and textiles from fungi and bacteria; [HSDB] Used as a bacteriocide/germicide and fungicide in shower curtains, floor and wall coverings, coated fabrics, marine upholstery, vinyl moldings, awnings, weather stripping, and swimming pool liners; Also used as a preservative in adhesives, coatings, carpets, and other products (paper, plastic, and textile); [EPA REDs]
Pulp and Paper Processing [Category: Industry]
応用分野
一般的な説明A clear light yellow liquid with a mild odor. Insoluble in water and slightly denser than water. Contact may severely irritate skin, eyes, and mucous membranes. Flash point 98°F.
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