3-(Trifluoromethyl)anisole

HCID 96691CAS 454-90-0

기본 정보

표준 SMILES: COc1cccc(C(F)(F)F)c1
InChIKey: XHONYVFDZSPELQ-UHFFFAOYSA-N
분자식: C8H7F3O
평균 분자량: 176.14 g/mol
단동위원소 질량: 176.0448995

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)anisole
IUPAC: 1-methoxy-3-(trifluoromethyl)benzene
영어명: 3-(Trifluoromethyl)anisole
분자식: C8H7F3O
분자량: 176.14

이름 및 동의어

3-(Trifluoromethyl)anisole454-90-01-methoxy-3-(trifluoromethyl)benzeneEINECS 207-229-7DTXSID60196498NSC 86566RefChem:496364DTXCID70118989207-229-7InChI=1/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3-methoxybenzotrifluoride3-Trifluoromethylanisole

이름 더 보기

m-Trifluoromethylanisole3-(Trifluoromethyl)aisole3-Methoxybenzotrifluoride>3-(Trifluoromethyl)anisole98%3-Methoxybenzotrifluoride 98%m-Trifluoromethylmethoxybenzen3-(Trifluoromethyl)anisole,99%

Benzene, 1-methoxy-3-(trifluoromethyl)-MFCD000003853-methoxy-1-(trifluoromethyl)benzenem-(Trifluoromethyl)anisoleNSC865663-trifluoromethylanisolSCHEMBL96299m-trifluoromethylmethoxybenzene

데이터베이스 식별자

CAS: 454-90-0
PubChem CID: 96691
DTXSID: DTXSID60196498
EC Number: 207-229-7
Nikkaji: J196.157H

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 144

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.79

물리화학적 성질

녹는점: -65 °C · -65.0 °C
끓는 점: 160 °C · 160 °C
밀도: 1.217 g/mL · 1.217 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.443(lit.)
인화점: 120 °F · 120 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.217 · 1.217
색상: 무색의
BRN: 3048340 · 3048340

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.