Methyl 4-(trifluoromethyl)nicotinate

HCID 2775680CAS 175204-82-7

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기본 정보

표준 SMILES: COC(=O)c1cnccc1C(F)(F)F
InChIKey: RFUABQNZKSSKRX-UHFFFAOYSA-N
분자식: C8H6F3NO2
평균 분자량: 205.13 g/mol
단동위원소 질량: 205.03506309

개요

Methyl 4-(trifluoromethyl)nicotinate is a member of pyridines and an aromatic carboxylic acid.

이름 및 식별자

우선 이름: Methyl 4-(trifluoromethyl)nicotinate
IUPAC: methyl 4-(trifluoromethyl)pyridine-3-carboxylate
영어명: Methyl 4-(trifluoromethyl)nicotinate
분자식: C8H6F3NO2
분자량: 205.13

이름 및 동의어

methyl 4-(trifluoromethyl)nicotinate175204-82-7DTXSID70379654RefChem:355504DTXCID30330680807-916-7methyl 4-(trifluoromethyl)pyridine-3-carboxylateMFCD001015684-Trifluoromethyl-nicotinic acid methyl ester3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-, methyl esterMethyl4-(trifluoromethyl)nicotinateMethyl 4-(trifluoromethyl)

이름 더 보기

Methyl4-(trifluoromethyl)nicotinate97%Methyl 4-(trifluoromethyl)nicotinate?NewMethyl 4-(trifluoromethyl)nicotinate 97%METHYL 4-(TRIFLUOROMETHYL)NICOTINATE ISO 9001：2015 REACHmethyl 4-(trifluoromethyl)pyridine-3-carboxylate - [M83636]3-Pyridinecarboxylic acid,4-(trifluoromethyl)-,methyl ester

orb3031007SCHEMBL3093031SCHEMBL16448180methyl 4-trifluoromethylnicotinateBUTTPARK 43\57-44CHEBI:194892Fr13044SBB093429

데이터베이스 식별자

CAS: 175204-82-7
PubChem CID: 2775680
DTXSID: DTXSID70379654
ChEBI: CHEBI:194892
EC Number: 807-916-7

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 217

물리화학적 성질

끓는 점: 100 °C · 100°C 15mm
밀도: 1.331 · 1.331±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 0.84 · 0.84±0.18(Predicted)

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.