2-Fluoro-4-(trifluoromethyl)aniline

HCID 2737674

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 69409-98-9
표준 SMILES: Nc1ccc(C(F)(F)F)cc1F
InChIKey: ARHDUOQIXLGANT-UHFFFAOYSA-N
분자식: C7H5F4N
평균 분자량: 179.11 g/mol
단동위원소 질량: 179.03581204

이름 및 식별자

우선 이름: 2-Fluoro-4-(trifluoromethyl)aniline
IUPAC: 2-fluoro-4-(trifluoromethyl)aniline
영어명: 2-Fluoro-4-(trifluoromethyl)aniline
분자식: C7H5F4N
분자량: 179.11

이름 및 동의어

2-fluoro-4-(trifluoromethyl)aniline69409-98-9DTXSID20372211RefChem:472341DTXCID80323244679-055-34-Amino-3-fluorobenzotrifluoride2-fluoro-4-trifluoromethylanilineMFCD016316293-FLUORO-4-AMINOBENZOTRIFLUORIDEBenzenamine, 2-fluoro-4-(trifluoromethyl)-SCHEMBL379155

이름 더 보기

2-Fluoro-4-(trifluor4-aMino-3-flurorbenzotrifluorideAminofluorobenzotrifluoride 43---2-fluoro-4-（trifluoromethyl）anline2-Fluoro-4-trifluoromethyl-phenylamine2-Fluoro-4-(trifluoromethyl)aniline, alpha,alpha,alpha,2-Tetrafluoro-p-toluidine

2-(Benzoyloxymethyl)benzoicacida,a,a,SCHEMBL7140205SCHEMBL28363679a,a,a,2-Tetrafluoro-p-toluidineFluoro-4-(trifluoromethyl)aniline2-fluoro-4-trifluoromethyl anilineSBB028383

데이터베이스 식별자

CAS: 69409-98-9
PubChem CID: 2737674
DTXSID: DTXSID20372211
EC Number: 679-055-3

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: 55 °C · 55 °C(Press: 0.3 Torr)
밀도: 1.383 · 1.383±0.06 g/cm3(Predicted)
굴절률: 1.465 · 1.4650
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 1.37 · 1.37±0.10(Predicted)
물리적 상태: 액체
색상: Clear, faint yellow
InChI: 1S/C7H5F4N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2
InChIKey: ARHDUOQIXLGANT-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1F)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (14.3%): Combustible liquid [Warning Flammable liquids]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (14.3%)

안전 데이터

wgk: WGK 3
ridadr: 2810
HS 번호: 2921420090
risk_code: 20/21/22-36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
포장분류: Ⅲ
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids