4-(디플루오로메톡시)벤잘데하이드

p-(Difluoromethoxy)benzaldehyde

HCID 2736986CAS 73960-07-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(OC(F)F)cc1
InChIKey: ZWCXOJYJJINQGU-UHFFFAOYSA-N
분자식: C8H6F2O2
평균 분자량: 172.13 g/mol
단동위원소 질량: 172.03358575

이름 및 식별자

우선 이름: p-(Difluoromethoxy)benzaldehyde
IUPAC: 4-(difluoromethoxy)benzaldehyde
현지명: 4-(디플루오로메톡시)벤잘데하이드
영어명: 4-(DIFLUOROMETHOXY)BENZALDEHYDE
분자식: C8H6F2O2
분자량: 172.13

이름 및 동의어

4-(Difluoromethoxy)benzaldehyde73960-07-3p-(Difluoromethoxy)benzaldehydeEINECS 277-653-5DTXSID30224696RefChem:857943DTXCID60147187277-653-54-difluoromethoxybenzaldehydeMFCD00042252benzaldehyde, 4-(difluoromethoxy)-P-DIFLUOROMETHOXYBENZALDEHYDE

이름 더 보기

4-(디플루오로메톡시)벤잘데하이드AKOS B006820AKOS BBS-00000693VITAS-BB TBB000651TIMTEC-BB SBB003837BENZALDEHYDE,4-(DIFLUOROMETHOXY)4-(Difluoromethoxy)benzaldehyde>4-(Difluoromethoxy)benzaldehyde98%4-(Difluoromethoxy)benzaldehyde 98%

4-difluoromethoxy benzaldehyde4-Difluoromethoxy-benzaldehydeWE2PLJ94SASCHEMBL607344SCHEMBL2172130ALBB-000217CL8351SBB003837

데이터베이스 식별자

CAS: 73960-07-3
PubChem CID: 2736986
DTXSID: DTXSID30224696
UNII: WE2PLJ94SA
EC Number: 277-653-5
Nikkaji: J318.902C

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 142

물리화학적 성질

끓는 점: 222 °C · 222 °C (lit.)
밀도: 1.302 g/mL · 1.302 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.503(lit.)
인화점: 228 °F · 228 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 3049286 · 3049286
InChI: 1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H
InChIKey: ZWCXOJYJJINQGU-UHFFFAOYSA-N
SMILES: FC(F)Oc1ccc(C=O)cc1

화학적 성질

light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 8 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (87.5%)

안전 데이터

wgk: 3
HS 번호: 29130000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39-24/25
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도4-(Difluoromethoxy)benzaldehyde may be used for the preparation of 4-(4-difluoro-methoxy-phen-yl)-1,2,3,4,5,6,7,8-octa-hydro-quinazoline-2,5-dione, via one-pot three-component reaction with cyclo-hexane-1,3-dione and urea.

일반 설명4-(Difluoromethoxy)benzaldehyde is a p-difluoromethoxy substituted benzaldehyde.