CAS 132927-09-4 2-Methoxy-4-(trifluoromethyl)benzaldehyde (HCID 4984704)

기본 정보

CAS: 132927-09-4
표준 SMILES: COc1cc(C(F)(F)F)ccc1C=O
InChIKey: KKESHHUPAFNMPH-UHFFFAOYSA-N
분자식: C9H7F3O2
평균 분자량: 204.15 g/mol
단동위원소 질량: 204.03981412

이름 및 식별자

우선 이름: 2-Methoxy-4-(trifluoromethyl)benzaldehyde
IUPAC: 2-methoxy-4-(trifluoromethyl)benzaldehyde
현지명: 2-METHOXY-4-(TRIFLUOROMETHYL)벤잘데하이드
영어명: 2-Methoxy-4-(trifluoromethyl)benzaldehyde
분자식: C9H7F3O2
분자량: 204.15

이름 및 동의어

2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-4DTXSID80407250RefChem:262566DTXCID30358102MFCD04115975BENZALDEHYDE, 2-METHOXY-4-(TRIFLUOROMETHYL)-SCHEMBL364139AKOS015890764CS-W015426AB20646AC-7727

이름 더 보기

2-METHOXY-4-(TRIFLUOROMETHYL)벤잘데하이드2-Methoxy-4-(trifluoromethyl)benzaldehyde99%2-METHOXY-4-(TRIFLUOROMETHYL)BENZALDEHYDE, 97%+4-Formyl-3-methoxybenzotrifluoride, 2-Formyl-5-(trifluoromethyl)anisole, 4-(Trifluoromethyl)-o-anisaldehyde

PS-81482-methoxy-4-trifluoromethyl benzaldehydeSY071680AM84197SCHEMBL2090152SBB0932452-Methoxy-4-trifluoromethylbenzaldehydeFT-0715

데이터베이스 식별자

CAS: 132927-09-4
PubChem CID: 4984704
DTXSID: DTXSID80407250
EC Number: 681-105-4
Nikkaji: J3.259.112D

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 203

물리화학적 성질

녹는점: 51 · 51-55℃
끓는 점: 247 ℃ · 247℃
밀도: 1.287 · 1.287
인화점: 100 ℃ · 100℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C9H7F3O2/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-5H,1H3
InChIKey: KKESHHUPAFNMPH-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(C(F)(F)F)C=C1OC

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.