Aclonifen
기본 정보
- CAS
74070-46-5- 표준 SMILES
Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl- InChIKey
DDBMQDADIHOWIC-UHFFFAOYSA-N- 분자식
- C12H9ClN2O3
- 평균 분자량
- 264.66 g/mol
- 단동위원소 질량
- 264.03016983
개요
Aclonifen is a primary amino compound that is aniline in which the phenyl group has been substituted at positions 2, 3, and 6 by chlorine, phenoxy, and nitro groups, respectively. A protoporphyrinogen oxidase (PPO) inhibitor, it is used as a herbicide against a broad range of weeds in a wide range of crops. It has a role as a carotenoid biosynthesis inhibitor, a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an aromatic ether, a C-nitro compound, a substituted aniline, a primary amino compound and a member of monochlorobenzenes.
이름 및 식별자
- 우선 이름
- Aclonifen
- IUPAC
- 2-chloro-6-nitro-3-phenoxyaniline
- 영어명
- ACLONIFEN
- 분자식
- C12H9ClN2O3
- 분자량
- 264.66
이름 및 동의어
Aclonifen74070-46-52-Chloro-6-nitro-3-phenoxyanilineBandurChallenge2-Chloro-6-nitro-3-phenoxybenzenamineCME 127DTXSID70581751762RDA835CHEBI:137374CME-127RefChem:109279
이름 더 보기
BandrenAcloifenAclonifen 10Einecs 277-704-1Aclonifen, 100ppmAclonifen Solution
DTXCID3031943277-704-1Benzenamine, 2-chloro-6-nitro-3-phenoxy-MFCD00143542AclonifeneA1L38Aclonifen [BSI:ISO]2-chloro-6-nitro-3-phenoxy-aniline
데이터베이스 식별자
- CAS
74070-46-5- PubChem CID
- 92389
- DTXSID
DTXSID7058175- ChEMBL
CHEMBL1485557- ChEBI
CHEBI:137374- UNII
- 1762RDA835
- EC Number
- 277-704-1
- Nikkaji
- J318.905H
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 81.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 292
실험 및 물리화학적 성질
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Herbicides
Environmental transformation -> Pesticides (parent, predecessor)
Pesticide (Aclonifen) -> USDA PDB
LogP4.04
Human DrugsPharmaceuticals
Ionization Efficiency
Positive
2.36
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
물리화학적 성질
- 녹는점
- 81.5 °C · 81.5 °C
- 끓는 점
- 361.5 · 361.5±42.0 °C(Predicted)
- 밀도
- 1.4257 · 1.4257 (rough estimate)
- 굴절률
- 1.58 · 1.5800 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- -3.15 · -3.15±0.25(Predicted)
- 색상
- Light yellow to Yellow to Orange
- BRN
- 8321574 · 8321574
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Warning
H317 (83.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Commission Regulation (EC) No 1490/2002
Reg. (EU) 2022/708, 2008/116, Reg. (EU) 2017/195, Reg. (EU) 2023/918, Reg. (EU) No 540/2011
Hazard Classes and Categories
Skin Sens. 1A (83.3%)
Carcinogenicity - category 2
Carc. 2
안전 데이터
- wgk
- 2
- rtecs
- CX9858650
- ridadr
- UN3077 9/PG 3
- HS 번호
- 29214200
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Carc. 2Skin Sens. 1A
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Herbicides
Environmental transformation -> Pesticides (parent, predecessor)
Pharmaceuticals
관련 반응
12건
화합물 노트
불러오는 중…