Acifluorfen (HCID 44073)

概要

Acifluorfen is a member of the class of benzoic acids that is 2-nitrobenzoic acid in which the hydrogen at position 5 is replaced by a 2-chloro-4-(trifluoromethyl)phenoxy group. It is a herbicide used for the post-emergence control of a variety of annual broadleaf weeds. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is a member of benzoic acids, a monocarboxylic acid, an aromatic ether, a C-nitro compound, an organochlorine compound and an organofluorine compound.

名称と識別子

優先名称: Acifluorfen
IUPAC: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
現地名: アシフルオルフェン標準品
英語名: Acifluorfen
分子式: C14H7ClF3NO5
分子量: 361.66

名称と別名

Acifluorfen50594-66-6AcifluorfeneTackle5-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoic acid5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid5-(2-Chloro-4-trifluoromethylphenoxy)-2-nitrobenzoic acidDTXSID00200222-Nitro-5-(2-chloro-4-(trifluoromethyl)phenoxy)benzoic acidOI60IB203ABenzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-DTXCID6022

名称をさらに表示

アシフルオルフェン標準品アシフルオルフェンCS_N-11027-250MG_アシフルオルフェンアシフルオルフェン STANDARDアシフルオルフェン Standard, 100 µg/mL in AcCNアシフルオルフェン Standard, 100 µg/mL in MeOHアシフルオルフェン Standard, 1000 µg/mL in MeOH5-[2-クロロ-4-(トリフルオロメチル)フェノキシ]-2-ニトロ安息香酸2-ニトロ-5-[2-クロロ-4-(トリフルオロメチル)フェノキシ]安息香酸2-ニトロ-5-(2-クロロ-4-トリフルオロメチルフェノキシ)安息香酸ppg-847RH-6201MC 10109MC 10978BLAZER(R)Aciuorfen

CHEBI:73172Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-RefChem:109258256-634-5AcifluorofenC14H7ClF3NO5BlazerAcifluorfen [BSI:ISO]

データベース識別子

CAS: 50594-66-6
PubChem CID: 44073
DTXSID: DTXSID0020022
ChEMBL: CHEMBL222440
ChEBI: CHEBI:73172
UNII: OI60IB203A
EC Number: 256-634-5
Nikkaji: J10.218K

物性

構造計算による物性

XLogP: 3
極性表面積: 92.4 Å²
水素結合供与体数: 1
水素結合受容体数: 8
回転可能結合数: 3
重原子数: 24
形式電荷: 0
複雑度: 484

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

Pesticides · 4 件

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Not approved

Pesticide (Acifluorfen) -> USDA PDB

Pesticide

LogP · 2 件

3.70

4.26

Solubility · 2 件

0.12 mg/mL at 25 °C

>54.2 [ug/mL] (The mean of the results at pH 7.4)

Melting Point240 °C

Physical DescriptionSolid

物理化学的性質

融点: 151.5 · 151.5-157°
沸点: 422.4 · 422.4±45.0 °C(Predicted)
比重(密度): 1.5676 · 1.5676 (estimate)
貯蔵温度: 0 · 0-6°C
溶解性: 25 mg/mL · DMSO: 25 mg/mL (69.13 mM)
酸解離定数(Pka): 1.93 · 1.93±0.25(Predicted)
外見: Solid
色: White to off-white
Merck: 13 · 13,111
BRN: 2953865 · 2953865
主な用途: 農業環境
InChI: InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
InChIKey: NUFNQYOELLVIPL-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(OC2=CC=C(C(F)(F)F)C=C2Cl)=CC=C1[N+]([O-])=O
CAS データベース: 50594 · 50594-66-6(CAS DataBase Reference)
NISTの化学物質情報: 5 · Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-(50594-66-6)
EPAの化学物質情報: Acifluorfen (50594-66-6)

化学的性質

化学的特性A diphenyl ether, is a combustible, off-white, light tan or brown solid.

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information2002/2076

Other Safety InformationIMAP assessments - Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-: Environment tier I assessment

Hazard Classes and Categories · 3 件

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

毒性情報

Carcinogen ClassificationNot listed by IARC.

USGS Health-Based Screening Levels for Evaluating Water-Quality · 6 件

Acifluorfen

49315

Pesticide

80

Value is for acifluorfen, sodium CASRN 6247659

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

安全データ

wgk: 3
tsca: TSCA listed
rtecs: DG5643070
ridadr: UN 3077
hs_code: 29189900
risk_code: 22-38-41-50/53
hazard_code: Xn;N,N,Xn
safety_code: 24-39-60-61
hazard_class: 9
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Pesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.

Cellular LocationsMembrane

用途と製造

UsesThis is a man-made compound that is used as a pesticide.

General Manufacturing InformationBenzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-: ACTIVE

上流・下流製品情報

上流原料

5-クロロ-2-ニトロ安息香酸ベンゾトリフルオリド窒素カリウムヒドロキシド 3,4-ジクロロベンゾトリフルオリド 3-ヒドロキシ安息香酸 2-クロロ-4-(トリフルオロメチル)フェノール m-クレゾールジメチルスルホキシド硝酸カリウム

下流製品

ラクトフェン 5-[2-クロロ-4-(トリフルオロメチル)フェノキシ]-N-(メチルスルホニル)-2-ニトロベンズアミド p-ニトロフェノール

サプライヤー50 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

補足説明 · 1 件

定義ChEBI: A member of the class of benzoic acids that is 2-nitrobenzoic acid in which the hydrogen at position 5 is replaced by a 2-chloro-4-(trifluoromethyl)phenoxy group. It is a herbicide used for the post-emergence control of a variety of annual broadleaf weeds.

アシフルオルフェン標準品

基本情報

概要