2-페녹시벤잘데하이드

o-Phenoxybenzaldehyde

HCID 88060CAS 19434-34-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccccc1Oc1ccccc1
InChIKey: IMPIIVKYTNMBCD-UHFFFAOYSA-N
분자식: C13H10O2
평균 분자량: 198.22 g/mol
단동위원소 질량: 198.06807956

이름 및 식별자

우선 이름: o-Phenoxybenzaldehyde
IUPAC: 2-phenoxybenzaldehyde
현지명: 2-페녹시벤잘데하이드
영어명: 2-Phenoxybenzaldehyde
분자식: C13H10O2
분자량: 198.22

이름 및 동의어

2-phenoxybenzaldehydeo-PhenoxybenzaldehydeBenzaldehyde, 2-phenoxy-K5R9AE3HNKEINECS 243-061-0DTXSID10173057RefChem:167287DTXCID0095548243-061-019434-34-52-phenoxybenzenecarbaldehyde2-Formyldiphenyl ether

이름 더 보기

2-페녹시벤잘데하이드2-Phenoxybenzaldehyde 97%

MFCD00800666phenoxybenzaldehydeMLS000326714SMR0001792672-phenoxy-benzaldehydeOpera_ID_1384UNII-K5R9AE3HNK2-Phenoxybenzaldehyde97%

데이터베이스 식별자

CAS: 19434-34-5
PubChem CID: 88060
DTXSID: DTXSID10173057
ChEMBL: CHEMBL1402072
UNII: K5R9AE3HNK
EC Number: 243-061-0
Nikkaji: J242.814H

물성

구조 계산 물성

XLogP: 3.3
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

물리화학적 성질

끓는 점: 114 °C · 114°C 0,1mm
밀도: 1.154 · 1.154±0.06 g/cm3(Predicted)
굴절률: 1.6 to · 1.6000 to 1.6040
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: 투명한 액체
색상: 무색~황색
수용성: 물에 아주 약간 용해됩니다.
InChI: 1S/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H
InChIKey: IMPIIVKYTNMBCD-UHFFFAOYSA-N
SMILES: O=Cc1ccccc1Oc2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (86.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (86.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2912490090
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도2-Phenoxybenzaldehyde is used as a reagent in the synthesis of chiral 1,3,4-oxadiazol-2-ones as potent and highly selective FAAH inhibitors. Also used as a reagent in the synthesis of [4-(phenoxy)pyridin-3-yl]methylamines; a new class of selective noradrenaline reuptake inhibitors (NRI).