基本信息
- 标准SMILES
O=[As]c1ccccc1- InChIKey
BQVCCPGCDUSGOE-UHFFFAOYSA-N- 分子式
- C6H5AsO
- 平均分子量
- 168.02 g/mol
- 单同位素质量
- 167.95563628
概述
Phenylarsine oxide is an arsine oxide derived from phenylarsine. It has a role as an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an antineoplastic agent and an apoptosis inducer.
名称与标识
- 首选名称
- Phenylarsine Oxide
- IUPAC
- arsorosobenzene
- 中文名
- 氧化苯胂
- 英文名
- Phenylarsine oxide
- 分子式
- C6H5AsO
- 分子量
- 168.02
名称与别名
展开更多名称
数据库标识
- CAS
637-03-6- PubChem CID
- 4778
- DTXSID
DTXSID5042249- ChEMBL
CHEMBL477683- ChEBI
CHEBI:75253- UNII
- 0HUR2WY345
- EC Number
- 211-275-3
- Nikkaji
- J6.913B
性质
结构计算性质
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 8
- 形式电荷
- 0
- 复杂度
- 76.6
实验与物化性质
物理化学性质
- 熔点
- 145 · 145-148 °C
- 储存条件
- Poison room
- 溶解度
- 50 mg/mL · DMSO: 50 mg/mL
- 形态
- powder
- 颜色
- white to yellow
- 生物来源
- synthetic (organic)
- 水溶解性
- 50 · Soluble in dimethyl sulfoxide, chloroform, benzene, ether, ethanol, 50:50 dimethyl sulfoxide:1 M hydrochloric acid (3.0 mg/ml) and toluene. Insoluble in water.
- Merck
- 14 · 14,6949
- BRN
- 2935227 · 2935227
- Henry's Law Constant
- 9 · 9.0×10-1 mol/(m3Pa) at 25℃, Bartelt-Hunt et al. (2008)
- 稳定性
- Stable.
- InChI
- InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
- InChIKey
- BQVCCPGCDUSGOE-UHFFFAOYSA-N
- SMILES
- [As](=O)C1=CC=CC=C1
- CAS 数据库
- 637 · 637-03-6(CAS DataBase Reference)
- EPA化学物质信息
- Oxophenylarsine (637-03-6)
化学性质
结晶。熔点144-146℃(119-120℃)。易溶于氯仿、热乙醇、热苯,微溶于乙醇,不溶于水和乙醚。
安全与法规
GHS分类
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
Regulatory Information
Chemical: Arsine, oxophenyl-
Restricted substance: Phenylarsine oxide
Hazards Summary
Acute or chronic arsenic poisoning may result from ingestion or inhalation of a sufficient dose; [MSDSonline] Not found in any pesticide products; [NPIRS] 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]
安全与防护
Exposure Control and Personal Protection
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
安全数据
- wgk
- 3
- tsca
- TSCA listed
- 毒性
- LD50 ipr-mus: 1930 mg/kg JPETAB 74,210,42
- RTECS号
- CH8100000
- 包装类别
- III
- 危险等级
- 6.1
- 存储类别
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- 安全说明
- 20/21-28-45-60-61
- 海关编码
- 29310099
- 危险品标志
- T,N
- 危险性类别
- Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1
- 危险类别码
- 23/25-50/53
- 危险品运输编号
- UN 3465 6.1/PG 3
化学与工业
药理信息
MeSH Pharmacological Classification
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
用途与制造
应用领域
用途用于有机合成。该品剧毒,用作杀虫剂。
制备方法
生产方法将苯砷酸、甲醇、浓盐酸按重量比1:5:2混合,加入少许碘化钾,然后通入二氧化硫至饱和。将反应生成的油状苯二氯砷用氢氧化钠溶液溶解,再用盐酸中和,使苯砷氧沉淀出来。
上下游产品信息
上游原料
试剂价格
- P0140 · 1G
- 氧化苯胂Phenylarsine Oxide — 270元
- P0140 · 5G
- 氧化苯砷Phenylarsine Oxide — 970元
供应商50 家
相关反应
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