2-시아노-N-[4-(트리플루오로메틸)페닐]아세트아미드

2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide

HCID 3823803

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 24522-30-3
표준 SMILES: N#CCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: JBNCFFDGYDZEEN-UHFFFAOYSA-N
분자식: C10H7F3N2O
평균 분자량: 228.17 g/mol
단동위원소 질량: 228.0510475

이름 및 식별자

우선 이름: 2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide
IUPAC: 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide
현지명: 2-시아노-N-[4-(트리플루오로메틸)페닐]아세트아미드
영어명: 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide
분자식: C10H7F3N2O
분자량: 228.17

이름 및 동의어

24522-30-32-cyano-N-[4-(trifluoromethyl)phenyl]acetamide2-Cyano-N-(4-(trifluoromethyl)phenyl)acetamideAcetamide, 2-cyano-N-[4-(trifluoromethyl)phenyl]-UNII-T4N584WTC2Leflunomide impurity H [EP]T4N584WTC2Acetamide, 2-cyano-N-(4-(trifluoromethyl)phenyl)-DTXSID50179275p-Acetotoluidide, 2-cyano-alpha,alpha,alpha-trifluoro-LEFLUNOMIDE IMPURITY H [EP IMPURITY]TERIFLUNOMIDE METABOLITE (A813226)

이름 더 보기

2-시아노-N-[4-(트리플루오로메틸)페닐]아세트아미드2-Cyano-NN-[4-(trifluoromethyl)phenyl]acetamideLeflunomide EP Impurity H (Teriflunomide EP Impurity B)

A813226P-ACETOTOLUIDIDE, 2-CYANO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-LEFLUNOMIDE IMPURITY H (EP IMPURITY)Leflunomide impurity, 2-cyano-acetic acid-(4'-trifluoromethyl)-anilide-(USP)Leflunomide impurity, 2-cyano-acetic acid-(4'-trifluoromethyl)-anilide-[USP]LEFLUNOMIDE IMPURITY, 2-CYANO-ACETIC ACID-(4'-TRIFLUOROMETHYL)-ANILIDE-(USP IMPURITY)LEFLUNOMIDE IMPURITY, 2-CYANO-ACETIC ACID-(4'-TRIFLUOROMETHYL)-ANILIDE-[USP IMPURITY]Leflunomide Impurity H

데이터베이스 식별자

CAS: 24522-30-3
PubChem CID: 3823803
DTXSID: DTXSID50179275
UNII: T4N584WTC2
EC Number: 642-278-1
Nikkaji: J2.887.041H

물성

구조 계산 물성

XLogP: 3
극성 표면적: 52.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 297

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

물리화학적 성질

녹는점: 145 · 145-147℃
끓는 점: 386.3 · 386.3±42.0 °C(Predicted)
밀도: 1.375 · 1.375±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.63 · 4.63±0.10(Predicted)
색상: 흰색에서 황백색까지
안정성: 흡습성

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22584

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2924297099

화학 및 산업

응용 분야 · 1건

용도2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide (Leflunomide EP Impurity H) is used to prepare aminothiophene carboxylates and carboxamides as adenosine A1 receptor allosteric enhancers. It is also used to synthesize (1,2,3-triazol-4-yl)benzenamines as inhibitors against VEGF receptors 1 and 2.