3-Phenoxybenzaldehyde (HCID 38284)

개요

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

이름 및 식별자

우선 이름: 3-Phenoxybenzaldehyde
IUPAC: 3-phenoxybenzaldehyde
현지명: 3-페녹시벤즈알데하이드
영어명: 3-Phenoxybenzaldehyde
분자식: C13H10O2
분자량: 198.22

이름 및 동의어

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

이름 더 보기

3-페녹시벤즈알데하이드3-페녹시벤즈알데하이드(3-PHENOXYBENZALDEHYDE)META PHENOXY BENZALDEHYE3-PhenoxybenzaLAKOS BBS-00003181Phenoxybenzaldehyde3-Phenoxy-benzaldehy3-phenoxy-benzaldehydM-PHENOXY BENZALDEHYDE

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 197

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점: 13 °C · 13 °C
끓는 점: 169 · 169-169.5 °C11 mm Hg(lit.)
밀도: 1.147 g/mL · 1.147 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.595(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: Chloroform, Dichloromethane (Slightly), Methanol (Slightly)
물리적 상태: 기름
색상: 무색~담황색
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
EPA: 3 · Benzaldehyde, 3-phenoxy- (39515-51-0)

화학적 성질

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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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 · 1건

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%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

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

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CU7560200
ridadr: UN2810 - class 6.1 - PG 3 - EHS - Toxic, liquids, organic, n.o.s., HI: all
독성: LD ipr-mus: >500 mg/kg JAFCAU26,954,78
HS 번호: 29124900
risk_code: 22-26
hazard_code: Xn
safety_code: 23-24/25-45-38-28
포장분류: II
위험 등급: 6.1
기존화학 물질: KE-28252
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

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

General Manufacturing InformationBenzaldehyde, 3-phenoxy-: ACTIVE

응용 분야 · 2건

용도3-phenoxybenzaldehyde is an important intermediate for the synthesis of pyrethroid pesticides phenothrin, cypermethrin, deltamethrin,fenvalerate, fenpropathrin, flucythrinate, cyhalothrin, etc.

일반 설명Enantioselective 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.

제조 방법 · 1건

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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

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3-페녹시벤즈알데하이드

기본 정보

개요