4-(디플루오로메톡시)-3-(사이클로프로필메톡시)-벤잘데히드

3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde

HCID 18973698

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 151103-09-2
표준 SMILES: O=Cc1ccc(OC(F)F)c(OCC2CC2)c1
InChIKey: AHVVCELVGCPYGI-UHFFFAOYSA-N
분자식: C12H12F2O3
평균 분자량: 242.22 g/mol
단동위원소 질량: 242.07545068

이름 및 식별자

우선 이름: 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde
IUPAC: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde
현지명: 4-(디플루오로메톡시)-3-(사이클로프로필메톡시)-벤잘데히드
영어명: 4-(Difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde
분자식: C12H12F2O3
분자량: 242.22

이름 및 동의어

151103-09-23-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehydeDTXSID10597012RefChem:92603DTXCID50547773864-864-84-(DIFLUOROMETHOXY)-3-(CYCLOPROPYLMETHOXY)BENZALDEHYDE4-(Difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehydeMFCD07779381Benzaldehyde, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-Roflumilast intermediate A3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

이름 더 보기

4-(디플루오로메톡시)-3-(사이클로프로필메톡시)-벤잘데히드Roflumilast Impurity 32Intermediate Of RoflumilastBenzaldehyde, 3-(cyclopropylMethoxy)-4ROFLUMILAST INTERMEDIATE CAS 151103-09-24-(DIFLUOROMETHOXY)-3-(CYCLOPROPYLMETHOX...3-CyclopropylMethoxy-4-isopropoxy-benzaldehyde

3-cyclopropylmethoxy-4-difluoromethoxybenzaldehydeRofluMilast interMediateYK7NPN7JDRRofluMilast InterMediate ISCHEMBL832611SCHEMBL4552813SCHEMBL29723415AKOS015891175

데이터베이스 식별자

CAS: 151103-09-2
PubChem CID: 18973698
DTXSID: DTXSID10597012
UNII: YK7NPN7JDR
EC Number: 864-864-8
Nikkaji: J3.209.871A

물성

구조 계산 물성

XLogP: 3
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 17
형식 전하: 0
복잡도: 256

물리화학적 성질

끓는 점: 331.3 · 331.3±37.0 °C(Predicted)
밀도: 1.277 · 1.277±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C12H12F2O3/c13-12(14)17-10-4-3-9(6-15)5-11(10)16-7-8-1-2-8/h3-6,8,12H,1-2,7H2
InChIKey: AHVVCELVGCPYGI-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(OC(F)F)C(OCC2CC2)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.