2-(트리플루오로메틸)계피산

2-(Trifluoromethyl)cinnamic acid, (E)-

HCID 719625CAS 2062-25-1

기본 정보

표준 SMILES: O=C(O)/C=C/c1ccccc1C(F)(F)F
InChIKey: AMVYAIXPAGBXOM-AATRIKPKSA-N
분자식: C10H7F3O2
평균 분자량: 216.16 g/mol
단동위원소 질량: 216.03981412

개요

(E)-2-(trifluoromethyl)cinnamic acid is a member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the ortho-position. It is a member of cinnamic acids and a member of (trifluoromethyl)benzenes. It is functionally related to a trans-cinnamic acid.

이름 및 식별자

우선 이름: 2-(Trifluoromethyl)cinnamic acid, (E)-
IUPAC: (E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
현지명: 2-(트리플루오로메틸)계피산
영어명: 2-(TRIFLUOROMETHYL)CINNAMIC ACID
분자식: C10H7F3O2
분자량: 216.16

이름 및 동의어

2-(Trifluoromethyl)cinnamic acido-(Trifluoromethyl)cinnamic acid(E)-2-Trifluoromethylcinnamic acid2-Propenoic acid, 3-[2-(trifluoromethyl)phenyl]-79PJG9RJG32-(Trifluoromethyl)cinnamic acid, (E)-EINECS 218-168-0Cinnamic acid, O-(trifluoromethyl)-2-Propenoic acid, 3-(2-(trifluoromethyl)phenyl)-trans-3-(2-Trifluoromethylphenyl)-2-propenoic acid2-Propenoic acid, 3-[2-(trifluoromethyl)phenyl]-, (2E)-trans-3-(2-Trifluoromethylphenyl)acrylic acid

이름 더 보기

2-(트리플루오로메틸)계피산Cinacalcet Impurity 942-(Trifluoromethyl)cinnamicacid98%2-(Trifluoromethyl)cinnamic acid 98%trans-2-(Trifluoromethyl)cinnamic acidtrans-2-(Trifluoromethyl)cinnamic acid 98%3-phenyl-2-(trifluoromethyl)prop-2-enoic acid(E)-3-(2-Trifluoromethylphenyl)-2-propenoic acid

(2E)-3-(2-(Trifluoromethyl)phenyl)-2-propenoic acid2-Propenoic acid, 3-(2-(trifluoromethyl)phenyl)-, (2E)-(2E)-3-[2-(Trifluoromethyl)phenyl]-2-propenoic acidRefChem:462559218-168-02062-25-198386-81-3(E)-3-(2-(trifluoromethyl)phenyl)acrylic acid

데이터베이스 식별자

CAS: 2062-25-1、98386-81-3
PubChem CID: 719625
DTXSID: DTXSID201031323
ChEBI: CHEBI:60703
UNII: 79PJG9RJG3
EC Number: 218-168-0
Nikkaji: J236.227I、J308.038B

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 258

물리화학적 성질

녹는점: 199 · 199
끓는 점: 276.9 · 276.9±35.0 °C(Predicted)
밀도: 1.363 · 1.363±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 4.22 · 4.22±0.10(Predicted)
색상: 흰색에서 거의 흰색

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.