3-페녹시벤즈알데하이드
3-Phenoxybenzaldehyde
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기본 정보
- CAS
39515-51-0- 표준 SMILES
O=Cc1cccc(Oc2ccccc2)c1- InChIKey
MRLGCTNJRREZHZ-UHFFFAOYSA-N- 분자식
- C13H10O2
- 평균 분자량
- 198.22 g/mol
- 단동위원소 질량
- 198.06807956
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 물성보충 중
- XLogP
- 3.4
- 극성 표면적
- 26.3 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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
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
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.
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하류 제품
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