N-Methyl-4-(trifluoromethyl)aniline

HCID 15099755

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 22864-65-9
표준 SMILES: CNc1ccc(C(F)(F)F)cc1
InChIKey: UTUYWZJPVLDHJJ-UHFFFAOYSA-N
분자식: C8H8F3N
평균 분자량: 175.15 g/mol
단동위원소 질량: 175.06088392

이름 및 식별자

우선 이름: N-Methyl-4-(trifluoromethyl)aniline
IUPAC: N-methyl-4-(trifluoromethyl)aniline
영어명: 4-Trifluoromethyl-N-methylaniline 97
분자식: C8H8F3N
분자량: 175.15

이름 및 동의어

N-methyl-4-(trifluoromethyl)aniline22864-65-9DTXSID30568183RefChem:364477DTXCID40518957626-543-94-(Trifluoromethyl)-N-methylanilineMFCD07369717BENZENAMINE, N-METHYL-4-(TRIFLUOROMETHYL)-N-Methyl-4-trifluoromethylaniline4-TRIFLUOROMETHYL-N-METHYLANILINE 97METHYL-(4-TRIFLUOROMETHYL-PHENYL)-AMINE

이름 더 보기

Fluoxetine impurity FXT4-(Trifluoromethyl)-N<Fluoxetine impurity FXT-VN-Methyl-4-(trifluoromethyl)4-(Methylamino)benzotrifluorideN-Methyl-p-trifluoromethylaniline4-(Methylamino)benzotrifluoride 98%4-Trifluoromethyl-N-methylaniline 974-(Trifluoromethyl)-N-methylaniline 97%N-Methyl-4-(trifluoromethyl)-benzenamine

CS-M1968N-methyl-p-(trifluoromethyl)anilineAKOS000256655F8883-1311methyl[4-(trifluoromethyl)phenyl]amineSCHEMBL130264SCHEMBL1547498SCHEMBL1776928

데이터베이스 식별자

CAS: 22864-65-9
PubChem CID: 15099755
DTXSID: DTXSID30568183
EC Number: 626-543-9
Nikkaji: J1.052.980H

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 136

물리화학적 성질

끓는 점: 105 · 105-106 °C/20 mmHg (lit.)
밀도: 1.2394 g/mL · 1.2394 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4888(lit.)
인화점: 210 °F · 210 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 2.58 · 2.58±0.12(Predicted)
색상: Colorless to Light orange to Yellow
InChI: 1S/C8H8F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3
InChIKey: UTUYWZJPVLDHJJ-UHFFFAOYSA-N
SMILES: CNc1ccc(cc1)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

안전 데이터

wgk: 3
HS 번호: 2921430090
risk_code: 22-43
hazard_code: Xn
safety_code: 36/37
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도4-(Trifluoromethyl)-N-methylaniline is used in the synthesis of Tasquinimod (T007820), an orally active antiangiogenic agent which may inhibit HDAC4 signalling. This affects cancer cell survival thus making this compound and anti-cancer agent.