2-[3-(트리플루오로메틸)페녹시]니코틴산

2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid

HCID 215891

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 36701-89-0
표준 SMILES: O=C(O)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIKey: OBRGOFGSXWAVNZ-UHFFFAOYSA-N
분자식: C13H8F3NO3
평균 분자량: 283.2 g/mol
단동위원소 질량: 283.04562778

이름 및 식별자

우선 이름: 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
IUPAC: 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
현지명: 2-[3-(트리플루오로메틸)페녹시]니코틴산
영어명: 2-[3-(Trifluoromethyl)phenoxy]nicotinic acid
분자식: C13H8F3NO3
분자량: 283.2

이름 및 동의어

36701-89-02-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-(3-(trifluoromethyl)phenoxy)-2-[3-(Trifluoromethyl)phenoxy]-3-pyridinecarboxylic acidRefChem:1061047609-284-62-[3-(trifluoromethyl)phenoxy]nicotinic acid2-(3-(Trifluoromethyl)phenoxy)nicotinic acid2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acidMFCD019387842-(3-trifluoromethylphenoxy)nicotinic acidDiflufenican metabolite AE B107137

이름 더 보기

2-[3-(트리플루오로메틸)페녹시]니코틴산2-[3-(trifluoromethyl)phenoxy]acid2-[3-(Trifluoromethyl)phenoxy]nicotinicaci2-[3-(trifluoroMethyl)phenoxy]nicotiric acid2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxylate2-(3-(trifluoromethyl)phenoxy)-3-pyridinecarboxylicaci2-(3-(trifluoromethyl)phenoxy)-3-pyridinecarboxylicacid3-Pyridinecarboxylic acid, 2-[3-(trifluoromethyl)phenoxy]-Diflufenican metabolite AE B107137 100 μg/mL in Acetonitrile

2-(3-trifluoromethylphenoxy) nicotinic acidAcide 2-(3'-trifluoromethyl) phenoxy nicotinique [French]diflufenican TP22-(3-Trifluoromethyl-phenoxy)-nicotinic acidAcide 2-(3'-trifluoromethyl) phenoxy nicotiniqueSCHEMBL2333429SCHEMBL29991644SCHEMBL30166677

데이터베이스 식별자

CAS: 36701-89-0
PubChem CID: 215891
DTXSID: DTXSID60957940
EC Number: 609-284-6
Nikkaji: J661.243A

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 59.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 348

실험 및 물리화학적 성질

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

물리화학적 성질

녹는점: 156 · 156-159°C
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: 1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)
InChIKey: OBRGOFGSXWAVNZ-UHFFFAOYSA-N
SMILES: OC(=O)c1cccnc1Oc2cccc(c2)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2933399990
risk_code: 43
hazard_code: Xi
safety_code: 36/37
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

응용 분야

용도2-[3-(Trifluoromethyl)phenoxy]nicotinic Acid (cas# 36701-89-0) is a useful reagent for the preparation of difluoroalkylarenes via photocatalytic alkylation of trifluoromethylarenes with alkenes.