메틸2-(3,5-비스(트리플루오로메틸)페닐)아세테이트

Methyl 2-[3,5-bis(trifluoromethyl)phenyl]acetate

HCID 10401718CAS 95299-16-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: URDXSDHDNSBKHI-UHFFFAOYSA-N
분자식: C11H8F6O2
평균 분자량: 286.17 g/mol

이름 및 식별자

우선 이름: Methyl 2-[3,5-bis(trifluoromethyl)phenyl]acetate
IUPAC: methyl 2-[3,5-bis(trifluoromethyl)phenyl]acetate
현지명: 메틸2-(3,5-비스(트리플루오로메틸)페닐)아세테이트
영어명: methyl 2-(3,5-bis(trifluoromethyl)phenyl)acetate
분자식: C11H8F6O2
분자량: 286.17

이름 및 동의어

95299-16-4Methyl 2-[3,5-bis(trifluoromethyl)phenyl]acetatemethyl 2-(3,5-bis(trifluoromethyl)phenyl)acetateBenzeneacetic acid, 3,5-bis(trifluoromethyl)-, methyl esterMFCD12025301Netupitant Impurity I3,5-Bis(trifluoromethyl)-benzeneacetic acid methyl ester3,5-Bis(trifluoromethyl)phenyl acetic acid methyl esterMethyl 3,5-bis(trifluoromethyl)phenylacetateMethyl 3,5-Bis(trifluoromethyl)benzeneacetate3,5-bis-trifluoromethylphenylacetic acid methyl esterSCHEMBL1296063

이름 더 보기

메틸2-(3,5-비스(트리플루오로메틸)페닐)아세테이트Netupitant Impurity 31Elinzanetant Impurity 8methyl [3,5-bis(trifluoromethyl)-phenyl]-acetate3,5-bis(trifluoromethyl)phenyl acetic acid methyl

SCHEMBL5779119Y5E9L8J7Y7DA-00243SY285053CS-0315358methyl 3,5-bis(triflouromethyl)phenylacetateMethyl 2-(3,5-ditrifluoromethylphenyl)acetateE83631

데이터베이스 식별자

CAS: 95299-16-4
PubChem CID: 10401718
UNII: Y5E9L8J7Y7
EC Number: 989-773-1
Nikkaji: J1.323.819G

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 300

물리화학적 성질

끓는 점: 199.1 · 199.1±35.0 °C(Predicted)
밀도: 1.367 · 1.367
저장 조건: Store at Room Tem.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.