4-Amino-7-(trifluoromethyl)quinoline

HCID 2735960CAS 243666-11-7

기본 정보

표준 SMILES: Nc1ccnc2cc(C(F)(F)F)ccc12
InChIKey: QZOOIAOULGJTJI-UHFFFAOYSA-N
분자식: C10H7F3N2
평균 분자량: 212.17 g/mol
단동위원소 질량: 212.05613288

이름 및 식별자

우선 이름: 4-Amino-7-(trifluoromethyl)quinoline
IUPAC: 7-(trifluoromethyl)quinolin-4-amine
영어명: 4-AMINO-7-(TRIFLUOROMETHYL)QUINOLINE
분자식: C10H7F3N2
분자량: 212.17

이름 및 동의어

4-Amino-7-(trifluoromethyl)quinoline243666-11-7DTXSID40371049RefChem:290047DTXCID103220837-(trifluoromethyl)quinolin-4-amineMFCD002694114-amino-7-trifluoromethylquinoline4-Amino-7-(trifluromethyl)quinolineSCHEMBL1980284HMS1659J15STK938658

이름 더 보기

CAS:243666-11-7BUTTPARK 11\01-34AKOS BBS-000027954-AMINO-7-TRIFLUOROMETHOXYLQUINOLINE4-Quinolinamine, 7-(trifluoromethyl)-4-AMINO-7-(TRIFLUOROMETHYL)QUINOLINE ISO 9001：2015 REACH

AB05513FS-10827-(trifluoromethyl)-4-quinolylamine7-trifluoromethyl-quinolin-4-ylamineAMY10951FT-0644099A26257CHEMBL2393222

데이터베이스 식별자

CAS: 243666-11-7
PubChem CID: 2735960
DTXSID: DTXSID40371049
ChEMBL: CHEMBL2393222
EC Number: 670-768-5

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 229

물리화학적 성질

끓는 점: 329.7 · 329.7±37.0 °C(Predicted)
밀도: 1.39 · 1.390
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 6.68 · 6.68±0.50(Predicted)
물리적 상태: solid
InChI: 1S/C10H7F3N2/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-5H,(H2,14,15)
InChIKey: QZOOIAOULGJTJI-UHFFFAOYSA-N
SMILES: Nc1ccnc2cc(ccc12)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (20%)

안전 데이터

wgk: WGK 3
HS 번호: 2933491090
risk_code: 25-36
hazard_code: Xi,T
safety_code: 26-45
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects