2,3-디플루오로-6-메톡시벤질디하이드

2,3-Difluoro-6-methoxybenzaldehyde

HCID 2774112

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 187543-87-9
표준 SMILES: COc1ccc(F)c(F)c1C=O
InChIKey: AKOJAYHBKACKNJ-UHFFFAOYSA-N
분자식: C8H6F2O2
평균 분자량: 172.13 g/mol
단동위원소 질량: 172.03358587

이름 및 식별자

우선 이름: 2,3-Difluoro-6-methoxybenzaldehyde
IUPAC: 2,3-difluoro-6-methoxybenzaldehyde
현지명: 2,3-디플루오로-6-메톡시벤질디하이드
영어명: 2,3-DIFLUORO-6-METHOXYBENZALDEHYDE
분자식: C8H6F2O2
분자량: 172.13

이름 및 동의어

2,3-Difluoro-6-methoxybenzaldehyde187543-87-9DTXSID90378886RefChem:442127DTXCID30329913642-708-85,6-Difluoro-o-anisaldehydeMFCD020939682-methoxy-5,6-difluorobenzaldehyde2,3-difluoro-6-methoxy-benzaldehyde2-methoxy-5,6-difluoro-benzaldehydeAKOS005063514

이름 더 보기

2,3-디플루오로-6-메톡시벤질디하이드Zavegepant Impurity 565,6-Difluoro-o-anisaldehyde>2,3-Difluoro-6-methoxybezaldehyde2,3-Difluoro-6-methoxybenzaldehyde98%6. 2,3-Difluoro-6-Methoxybenzaldehyde-2,3-Difluoro-6-methoxybenzaldehyde 98%2,3-DIFLUORO-6-METHOXY-BENZALDEHYD, 98+%

BP-11140AM20080595SCHEMBL911855SBB064642CS-W017620PS-86722,3-Difluoro-6-(methyloxy)benzaldehydeBenzaldehyde, 2,3-difluoro-6-methoxy-

데이터베이스 식별자

CAS: 187543-87-9
PubChem CID: 2774112
DTXSID: DTXSID90378886
EC Number: 642-708-8
Nikkaji: J3.706.128J

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 55 · 55-57
끓는 점: 233 · 233.0±35.0 °C(Predicted)
밀도: 1.289 · 1.289±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
색상: White to Light yellow to Light orange
InChI: InChI=1S/C8H6F2O2/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4H,1H3
InChIKey: AKOJAYHBKACKNJ-UHFFFAOYSA-N
SMILES: C(=O)C1=C(OC)C=CC(F)=C1F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.