α-(ピリミジン-5-イル)-α-(4-クロロフェニル)-2-クロロベンゼンメタノール

Fenarimol

HCID 43226CAS 60168-88-9
部分構造検索類似構造を探す

基本情報

標準SMILES
OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl
InChIKey
NHOWDZOIZKMVAI-UHFFFAOYSA-N
分子式
C17H12Cl2N2O
平均分子量
331.2 g/mol
単同位体質量
330.03266836

概要

Pure white crystalline solid. Used as a fungicide. Irritates skin and mucous membranes.

名称と識別子

優先名称
Fenarimol
IUPAC
(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol
現地名
α-(ピリミジン-5-イル)-α-(4-クロロフェニル)-2-クロロベンゼンメタノール
英語名
Fenarimol
分子式
C17H12Cl2N2O
分子量
331.2

名称と別名

FENARIMOL60168-88-9RubiganRimidinDTXSID2032390EL 222FENARIalpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanolO088GU930Q2,4'-Dichloro-alpha(pyrimidin-5-yl)benzhydryl alcoholDTXCID0012390(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol
名称をさらに表示
2,4'-ジクロロ-アルファ-(5-ピリミジニル)ベンズヒドリル=アルコールα-(ピリミジン-5-イル)-α-(4-クロロフェニル)-2-クロロベンゼンメタノールフェナリモールルビガンα-(2-クロロフェニル)-α-(4-クロロフェニル)-5-ピリミジンメタノールα-(2-クロロフェニル)α-(4-クロロフェニル)-5-ピリミジンメタノールフェナリモルスペックス２，４’－ジクロロ－α－（ピリミジン－５－イル）ベンズヒドリルアルコールフェナリモル標準品２，４’ジクロロα（ピリミジン５イル）ベンズヒドリルアルコル2，4’-ジクロロ-α-（5-ピリミジニル）ベンズヒドリル＝アルコールブロック2,4′-ジクロロ-アルファ-(5-ピリミジニル)ベンズヒドリル=アルコール(2-クロロフェニル)(4-クロロフェニル)(ピリミジン-5-イル)メタノール2,4'-ｼﾞｸﾛﾛ-ｱﾙﾌｧ-(5-ﾋﾟﾘﾐｼﾞﾆﾙ)ﾍﾞﾝｽﾞﾋﾄﾞﾘﾙ=ｱﾙ ｺｰﾙBlocEL-222BLOC(R)RUBIGAN-4RUBIGAN(R)RUBIGAN12ECFenarimol Standard
CHEBI:83686(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-RefChem:140102CHEBI:4998(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol262-095-7(2-Chlorophenyl)(4-chlorophenyl)(pyrimidin-5-yl)methanol

データベース識別子

CAS
60168-88-9
PubChem CID
43226
DTXSID
DTXSID2032390
ChEMBL
CHEMBL28971
ChEBI
CHEBI:83686
UNII
O088GU930Q
EC Number
262-095-7
Nikkaji
J18.180C

物性

構造計算による物性

XLogP
3.6
極性表面積
46 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
3
重原子数
22

実験および物理化学的性質

Pesticides · 4 件

Fungicides

Active substance -> EU Pesticides database: Not approved

Fungicides

Pesticide (Fenarimol) -> USDA PDB

LogP2.62
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point117 - 119 °C
Physical Description · 2 件

Pure white crystalline solid. Used as a fungicide. Irritates skin and mucous membranes.

Solid

Collision Cross Section · 3 件

176.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2032390]

175.92 Ų [M-H]-

173.78 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]

物理化学的性質

融点
117 · 117-119°C
沸点
0 °C · 0°C
比重(密度)
1.3886 · 1.3886 (rough estimate)
蒸気圧
6.5 x · 6.5 x 10-5 Pa at 25 °C
屈折率
1.549 · 1.5490 (estimate)
闪点
0 °C · 0°C

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H361fd: Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity]

P203, P260, P263, P264, P270, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Warning

H361 (84.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P263, P264, P270, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Regulation (EC) No 1107/2009 (amended)

Fenarimol is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

2006/134/EC

Fenarimol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-: Human health tier I assessment
DOT LabelPoison Flammable Liquid
Fire HazardsExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Health HazardsExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Reactive GroupAlcohols and Polyols

安全と保護具

Fire FightingExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
First AidExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Nonfire Spill ResponseExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Isolation and EvacuationExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

毒性情報

Toxicity Summary · 1 件

Fenarimol is an antiandrogen. It has effects on the reproductive organs and prostate gene expression levels. Studies suggested that the adverse effects of Fenarimol in males are mediated at least partialy via antagonism or androgen receptor.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values · 2 件

0.006

OPP

EPA Human Health Benchmarks for Pesticides · 5 件

Fenarimol

0.006

40

General Population

Human Health Benchmarks for Pesticides - 2021 Update

安全データ

wgk
2
tsca
TSCA listed
rtecs
UV9279400
ridadr
UN 3017/3077
毒性
LD50 in mice, rats (mg/kg): 4500, 2500 orally (Beraud)
PRTR法
第2種指定化学物質

化学と産業

薬理情報

MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.
Cellular LocationsMembrane

用途と製造

Use ClassificationFungicides
General Manufacturing Information5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-: ACTIVE
応用分野 · 3 件

用途ステロール生合成阻害剤

使用Fenarimol is a broad spectrum pyrimidine carbinol fungicide with protective, curative and eradicative activities against powdery mildew (Erysiphe spp., Pudusphaera leucutricha, Uncinula necatur, Sphaerutheca spp., Leveillula spp.) and scab (Venturia spp.) in many crops. It also controls powdery mildew (Sphaerutheca pannusa) in ornamentals and Fusarium patch (Micruduccium niuale), Take-all patch (Laefisaria fuciformis), Dollar spot (Sderutina humeucavpa) and red thread (Gaeumannumyces graminis) in turf and amenity grasses.

一般的な説明Pure white crystalline solid. Used as a fungicide. Irritates skin and mucous membranes.

上流・下流製品情報

サプライヤー50 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

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