基本情報
- CAS
39277-47-9- 標準SMILES
CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl.CCCCOC(=O)COc1ccc(Cl)cc1Cl- InChIKey
OLAOGBRYSBMLAO-UHFFFAOYSA-N- 分子式
- C24H27Cl5O6
- 平均分子量
- 588.7 g/mol
- 単同位体質量
- 586.025027
概要
Agent Orange is code name for a synthetic defoliant developed for military use. Agent Orange is a mixture of two chemicals, 2,4, dichlorophenoxyacetic acid (2,4-D) and 2,4,5 trichlorophenoxyacetic acid (2,4,5-T). The toxicity of Agent Orange is due to by-products from metabolic processes upon intake. The toxic by products are dioxin derivatives, which have been linked to the wasting syndrome, gastric ulcer, cancer, immunotoxicity, hepatotoxicity, vascular lesions, teratogenicity, and impaired reproductive performance. (NCI04)
名称と識別子
- 優先名称
- Agent Orange
- IUPAC
- butyl 2-(2,4-dichlorophenoxy)acetate;butyl 2-(2,4,5-trichlorophenoxy)acetate
- 現地名
- エージェントオレンジ
- 英語名
- Agent Orange
- 分子式
- C12H14Cl2O3.C12H13Cl3O3
- 分子量
- 588.736
名称と別名
AGENT ORANGE39277-47-9KQW750JQE5DTXSID70895783(2,4-Dichlorophenoxy)acetic acid, butyl ester, mixt. with butyl (2,4,5-trichlorophenoxy)acetateOrange, AgentRefChem:110133DTXCID9013252962,4,D/2,4,5,T(2,4,5-Trichlorophenoxy)acetic acid-(2,4-dichlorophenoxy)acetic acid (1:1)2,4-D butyl ester mixt. with 2,4,5-T butyl esterbutyl 2-(2,4-dichlorophenoxy)acetate;butyl 2-(2,4,5-trichlorophenoxy)acetate
名称をさらに表示
エージェントオレンジ(2,4-ジクロロフェノキシ)酢酸ブチル/(2,4,5-トリクロロフェノキシ)酢酸ブチル
UNII-KQW750JQE5SCHEMBL31650885(2,4,5-trichlorophenoxy)acetic acid - (2,4-dichlorophenoxy)acetic acid (1:1)Acetic acid, (2,4-dichlorophenoxy)-, butyl ester, mixt. with butyl (2,4,5-trichlorophenoxy)acetateAcetic acid, 2,4-dichlorophenoxy-, butyl ester and 2,4,5-trichlorophenoxyacetic acid (45.5%:48.2%)NS00076402Q26840747ACETIC ACID, (2,4-DICHLOROPHENOXY)-, BUTYL ESTER, MIXT. WITH BUTYL 2-(2,4,5-TRICHLOROPHENOXY)ACETATE (1:1)
データベース識別子
- CAS
39277-47-9
物性
構造計算による物性
- 極性表面積
- 71.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 14
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 499
物理化学的性質
- 沸点
- 662.06 °C · 662.06°C (rough estimate)
- 比重(密度)
- 1.2619 · 1.2619 (rough estimate)
- 屈折率
- 1.555 · 1.5550 (estimate)
- EPAの化学物質情報
- 2 · 2,4-D butyl ester mixt. with 2,4,5-T butyl ester (39277-47-9)
化学と産業
薬理情報
MeSH Pharmacological Classification
Herbicides that remove leaves from trees and growing plants. They may be either organic or inorganic. Several of the more persistent types have been used in military operations and many are toxic. (From Hawley's Condensed Chemical Dictionary, 11th ed)
補足説明
定義A herbicide consisting of a mixture of two weedkillers (2,4-D and 2,4,5-T), which was formerly used in warfare to defoliate trees where an enemy may be hiding or to destroy an enemy’s crops. It also contains traces of the highly toxic chemical dioxin, which may cause cancers and birth defects.
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