3-아미노-5-플루오로벤조트리플루오라이드

3-Amino-5-fluorobenzotrifluoride

HCID 2735913

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 454-67-1
표준 SMILES: Nc1cc(F)cc(C(F)(F)F)c1
InChIKey: WQKQODZOQAFYPR-UHFFFAOYSA-N
분자식: C7H5F4N
평균 분자량: 179.11 g/mol
단동위원소 질량: 179.03581204

이름 및 식별자

우선 이름: 3-Amino-5-fluorobenzotrifluoride
IUPAC: 3-fluoro-5-(trifluoromethyl)aniline
현지명: 3-아미노-5-플루오로벤조트리플루오라이드
영어명: 3-Amino-5-fluorobenzotrifluoride
분자식: C7H5F4N
분자량: 179.11

이름 및 동의어

3-Amino-5-fluorobenzotrifluoride454-67-13-fluoro-5-trifluoromethylanilineDTXSID30371018RefChem:497394DTXCID00322052630-613-43-fluoro-5-(trifluoromethyl)anilineMFCD000613153-Fluoro-5-trifluoromethyl-phenylamine3-fluoro-5-(trifluoromethyl)phenylamine3-fluoro-5-trifluorobenzenamine

이름 더 보기

3-아미노-5-플루오로벤조트리플루오라이드3-TriMethyl-5-fluoroaniline3-Amino-5-fluorobenzotrifluoride98%3-Amino-5-fluorobenzotrifluoride 98%3-AMINO-5-FLUORO-TRIFLUOROMETHYLBENZENE3-fluoro-5-(trifluoromethyl)benzenamine3-AMino-5-fluorobenzotrifluoride[3-fluoro-5-(trifluoroMethyl)aniline]3-Fluoro-5-(trifluoromethyl)aniline, alpha,alpha,alpha,5-Tetrafluoro-m-toluidine

Benzenamine, 3-fluoro-5-(trifluoromethyl)-3-Fluoro-5-trifluoromethyl-aniline5-fluoro-3-(trifluoromethyl)anilineSCHEMBL131491SCHEMBL29361649CL8428SBB0283823-Fluoro-5-(trifluoromethyl)-aniline

데이터베이스 식별자

CAS: 454-67-1
PubChem CID: 2735913
DTXSID: DTXSID30371018
EC Number: 630-613-4

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

물리화학적 성질

끓는 점: 186.8 · 186.8±40.0 °C(Predicted)
밀도: 1.383 · 1.383±0.06 g/cm3(Predicted)
인화점: 75 °C · 75 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): 2.36 · 2.36±0.10(Predicted)
색상: Clear, colourless
InChI: InChI=1S/C7H5F4N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChIKey: WQKQODZOQAFYPR-UHFFFAOYSA-N
SMILES: C1(N)=CC(C(F)(F)F)=CC(F)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.