2,6-Difluoro-4-methoxybenzaldehyde

HCID 3703713

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 256417-10-4
표준 SMILES: COc1cc(F)c(C=O)c(F)c1
InChIKey: ZYABCGOTMDPUDD-UHFFFAOYSA-N
분자식: C8H6F2O2
평균 분자량: 172.13 g/mol
단동위원소 질량: 172.03358587

이름 및 식별자

우선 이름: 2,6-Difluoro-4-methoxybenzaldehyde
IUPAC: 2,6-difluoro-4-methoxybenzaldehyde
영어명: 2,6-DIFLUORO-4-METHOXYBENZALDEHYDE
분자식: C8H6F2O2
분자량: 172.13

이름 및 동의어

2,6-Difluoro-4-methoxybenzaldehyde256417-10-4DTXSID70395273RefChem:248368DTXCID00346132625-806-52,6-difluoro-4-methoxy-benzaldehydeMFCD04114368Benzaldehyde, 2,6-difluoro-4-methoxy-SCHEMBL9541342,6-difluoro-4-methoxy benzaldehydeCL8252

이름 더 보기

5-Fluoroacetophenone2,6-fluoro-4-methoxybenzaldehyde,6-DIFLUORO-4-METHOXYBENZALDEHYDE2,6-Difluoro-4-methoxybenzaldehyde 98%2,6-DIFLUORO-4-METHOXYBENZALDEHYDE ISO 9001：2015 REACH3,5-Difluoro-4-formylanisole, 2,6-Difluoro-p-anisaldehyde

AKOS005063677AB18165SCHEMBL7300875SBB088585CS-W008448PS-8671SY0296792,6-Difluoro-4-methoxybenzaldehyde, 97%

데이터베이스 식별자

CAS: 256417-10-4
PubChem CID: 3703713
DTXSID: DTXSID70395273
EC Number: 625-806-5

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: 151

물리화학적 성질

녹는점: 73 · 73-77 °C(lit.)
끓는 점: 207.1 · 207.1±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: 고체
색상: Faint Gold
InChI: 1S/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3
InChIKey: ZYABCGOTMDPUDD-UHFFFAOYSA-N
SMILES: COc1cc(F)c(C=O)c(F)c1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29130000
risk_code: 38-41
hazard_code: Xi
safety_code: 26-36/37/39
Hazard Classifications: Eye Dam. 1Skin Irrit. 2
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,6-Difluoro-4-methoxybenzaldehyde, is a versatile building block used for the synthesis of more complex pharmaceutical and biologically active compounds. It is shown to be involved in the preparation of potent and orally available G protein-coupled receptor 40 agonists, used the treatment of type 2 diabetes.