3-Phenoxybenzaldehyde (HCID 38284)

概要

3-phenoxybenzaldehyde has been reported in Streptomyces aureus with data available.

名称と識別子

優先名称: 3-Phenoxybenzaldehyde
IUPAC: 3-phenoxybenzaldehyde
現地名: 3-フェノキシベンズアルデヒド
英語名: 3-Phenoxybenzaldehyde
分子式: C13H10O2
分子量: 198.22

名称と別名

3-PHENOXYBENZALDEHYDE39515-51-0m-PhenoxybenzaldehydeBenzaldehyde, 3-phenoxy-m-(Phenyloxy)benzaldehydeDTXSID3028005DTXCID8080052ZI2173196RefChem:504775254-487-13-Phenoxy-benzaldehyde3-Formyldiphenyl Ether

名称をさらに表示

3-フェノキシベンズアルデヒド(1,1'-オキシビスベンゼン)-3-カルボアルデヒドm-フェノキシベンズアルデヒドmフェノキシベンズアルデヒド3-ホルミルジフェニルエーテルm-フエノキシベンズアルデヒド(1,1′-オキシビスベンゼン)-3-カルボアルデヒドMETA PHENOXY BENZALDEHYE3-PhenoxybenzaLAKOS BBS-00003181Phenoxybenzaldehyde3-Phenoxy-benzaldehy3-phenoxy-benzaldehydM-PHENOXY BENZALDEHYDE

MFCD000033535-phenoxybenzaldehydeUNII-2ZI2173196SCHEMBL98478PHENOXYBENZALDEHYDE, 3-MRLGCTNJRREZHZ-UHFFFAOYSA-DS-0482AC-10909

データベース識別子

CAS: 39515-51-0
PubChem CID: 38284
DTXSID: DTXSID3028005
ChEMBL: CHEMBL22531
UNII: 2ZI2173196
EC Number: 254-487-1
Nikkaji: J324G

物性

構造計算による物性

XLogP: 3.4
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 197

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Aromatic Compounds

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

LogP3.38

Vapor Pressure0.000164 [mmHg]

Physical DescriptionYellow liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: 13 °C · 13 °C
沸点: 169 · 169-169.5 °C11 mm Hg(lit.)
比重(密度): 1.147 g/mL · 1.147 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.595(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: Chloroform, Dichloromethane (Slightly), Methanol (Slightly)
外見: Oil
色: Colourless to Pale Yellow
BRN: 511662 · 511662
InChI: InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H
InChIKey: MRLGCTNJRREZHZ-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=CC(OC2=CC=CC=C2)=C1
CAS データベース: 39515 · 39515-51-0(CAS DataBase Reference)
EPAの化学物質情報: 3 · Benzaldehyde, 3-phenoxy- (39515-51-0)

化学的性質

化学的特性clear light yellow to amber liquid, insoluble in water, soluble in alcohol, benzene, toluene and other organic solvents.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P264, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P316, P317, P320, P321, P330, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 134 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzaldehyde, 3-phenoxy-

Status: Cease Manufacture Update: 02-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2116

3-Phenoxybenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Causes somnolence, dyspnea, and salivary gland changes in inhalation lethal-concentration studies of rats; Causes CNS effects in 17-week inhalation study of rats; [RTECS] An irritant; Toxic by ingestion; May be fatal by inhalation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Toxicity DataLC50 (rat) = 270 mg/m3/4hr

安全データ

wgk: 3
tsca: TSCA listed
rtecs: CU7560200
ridadr: UN2810 - class 6.1 - PG 3 - EHS - Toxic, liquids, organic, n.o.s., HI: all
毒性: LD ipr-mus: >500 mg/kg JAFCAU26,954,78
hs_code: 29124900
risk_code: 22-26
化審法: (3)-3470
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 23-24/25-45-38-28
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing InformationBenzaldehyde, 3-phenoxy-: ACTIVE

応用分野 · 2 件

使用3-phenoxybenzaldehyde is an important intermediate for the synthesis of pyrethroid pesticides phenothrin, cypermethrin, deltamethrin,fenvalerate, fenpropathrin, flucythrinate, cyhalothrin, etc.

一般的な説明Enantioselective autoinduction during asymmetric hydrocyanation of 3-phenoxybenzaldehyde catalyzed by cyclo[(R)-phenylalanyl-(R)-histidyl] has been investigated. It undergoes hydrogenation catalyzed by Au/Pt bimetallic core/shell nanoparticles to yield 3-phenoxyphenyl methanol.

調製方法 · 1 件

製造方法Synthesis of 3-Phenoxybenzaldehyde: 3-phenoxybenzoic acid is generated by catalytic oxidation of 3-phenoxytoluene, followed by electrolytic reduction to obtain Phenoxybenzyl alcohol , and then selective oxidation with sodium hypochlorite to obtain 3-Phenoxybenzaldehyde.

上流・下流製品情報

上流原料

下流製品

エスフェンバレレート rac-3α*-[(Z)-2-クロロ-3,3,3-トリフルオロ-1-プロペニル]シクロプロパン-1α*-カルボン酸[(S*)-シアノ(3-フェノキシフェニル)メチル]3-フェnオキシベンズアルデヒドシアノhydrin α-シペルメトリン α-シアノ-3-フェノキシベンジル=2,2-ジクロロ-1-(4-エトキシフェニル)-1-シクロプロパンカルボキシラート 2,2,3,3-テトラメチルシクロプロパン-1-カルボン酸3-フェノキシα-シアノベンジルデルタメトリン VALERATE フェンバレレート 3-フェノキシベンジルアルコール brofluthrinate 3-(4-Bromophenoxy)Benzaldehyde

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3-フェノキシベンズアルデヒド

基本情報

概要