기본 정보
- CAS
39277-47-9- 표준 SMILES
CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl.CCCCOC(=O)COc1ccc(Cl)cc1Cl- InChIKey
OLAOGBRYSBMLAO-UHFFFAOYSA-N- 분자식
- C24H27Cl5O6
- 평균 분자량
- 588.7 g/mol
- 단동위원소 질량
- 586.025027
개요
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)
이름 및 식별자
- 우선 이름
- Agent Orange
- IUPAC
- butyl 2-(2,4-dichlorophenoxy)acetate;butyl 2-(2,4,5-trichlorophenoxy)acetate
- 현지명
- 에이전트오렌지
- 영어명
- Agent Orange
- 분자식
- C12H14Cl2O3.C12H13Cl3O3
- 분자량
- 588.736
이름 및 동의어
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
이름 더 보기
에이전트오렌지
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)
데이터베이스 식별자
- CAS
39277-47-9- PubChem CID
- 38264
물성
구조 계산 물성
- 극성 표면적
- 71.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 499
물리화학적 성질
- 끓는 점
- 662.06 °C · 662.06°C (rough estimate)
- 밀도
- 1.2619 · 1.2619 (rough estimate)
- 굴절률
- 1.555 · 1.5550 (estimate)
- EPA
- 2 · 2,4-D butyl ester mixt. with 2,4,5-T butyl ester (39277-47-9)
화학 및 산업
약리 정보
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)
추가 설명
정의A 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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