2,2-디플루오로벤조디옥솔-4-카르복스알데히드

2,2-Difluoro-benzo(1,3)dioxole-4-carbaldehyde

HCID 2736970

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 119895-68-0
표준 SMILES: O=Cc1cccc2c1OC(F)(F)O2
InChIKey: NIBFJPXGNVPNHK-UHFFFAOYSA-N
분자식: C8H4F2O3
평균 분자량: 186.11 g/mol
단동위원소 질량: 186.01285043

이름 및 식별자

우선 이름: 2,2-Difluoro-benzo(1,3)dioxole-4-carbaldehyde
IUPAC: 2,2-difluoro-1,3-benzodioxole-4-carbaldehyde
현지명: 2,2-디플루오로벤조디옥솔-4-카르복스알데히드
영어명: 2,2-Difluorobenzodioxole-4-carboxaldehyde
분자식: C8H4F2O3
분자량: 186.11

이름 및 동의어

2,2-difluoro-1,3-benzodioxole-4-carboxaldehyde2,2-Difluoro-benzo(1,3)dioxole-4-carbaldehydeEC 700-476-62,2-difluoro-benzo[1,3]dioxole-4-carbaldehydeRefChem:441103700-476-6119895-68-02,2-difluoro-1,3-benzodioxole-4-carbaldehyde2,2-difluoro-2H-1,3-benzodioxole-4-carbaldehyde2,2-difluorobenzo[d][1,3]dioxole-4-carbaldehyde2,2-Difluoro-4-formylbenzodioxole2,2-difluorobenzodioxole-4-carboxaldehyde

이름 더 보기

2,2-디플루오로벤조디옥솔-4-카르복스알데히드2,2-Difluoropiperane-4-formaldehyde4-FORMYL-2.2-DIFLUORO-1.3-BENZODIOXOLE2,2-Difluorobenzodioxole-4-carboxaldehyde98%2,2-Difluorobenzodioxole-4-carboxaldehyde 98%

MFCD007924191,3-Benzodioxole-4-carboxaldehyde, 2,2-difluoro-2,2-difluoro-1,3-benzodioxol-4-aldehydeZ12016205562,2-Difluoro-1,3-benzodioxole-4-carbaldehyde, AldrichCPR2,2-Difluoro-4-formyl-1,3-benzodioxole2,2-difluoro-1,3-benzodioxol-4-yl-carbaldehydeFT-0609233

데이터베이스 식별자

CAS: 119895-68-0
PubChem CID: 2736970
DTXSID: DTXSID90371736
EC Number: 700-476-6
Nikkaji: J1.878.320G

물성

구조 계산 물성

XLogP: 2
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 219

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

물리화학적 성질

끓는 점: 99 · 99-101 °C(Press: 14 Torr)
밀도: 1.423 g/mL · 1.423 g/mL at 25 °C
증기압: 39 Pa · 39Pa at 20℃
굴절률: 1.4955 · 1.4955
인화점: 91 ℃ · 91℃
저장 조건: -20 °C · -20°C
물리적 상태: 액체
색상: 클리어, 옐로우
InChI: InChI=1S/C8H4F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-4H
InChIKey: NIBFJPXGNVPNHK-UHFFFAOYSA-N
SMILES: O1C2=CC=CC(C=O)=C2OC1(F)F
LogP: 2.2 at · 2.2 at 25℃ and pH6.9

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (59.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.