4-Fluoro-2-(trifluoromethyl)aniline

HCID 67853CAS 393-39-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(F)cc1C(F)(F)F
InChIKey: LRCQLCWUUBSUOY-UHFFFAOYSA-N
분자식: C7H5F4N
평균 분자량: 179.11 g/mol
단동위원소 질량: 179.03581204

개요

4-fluoro-2-(trifluoromethyl)aniline is an organic molecular entity.

이름 및 식별자

우선 이름: 4-Fluoro-2-(trifluoromethyl)aniline
IUPAC: 4-fluoro-2-(trifluoromethyl)aniline
영어명: 2-Amino-5-fluorobenzotrifluoride
분자식: C7H5F4N
분자량: 179.11

이름 및 동의어

4-Fluoro-2-(trifluoromethyl)aniline393-39-5Benzenamine, 4-fluoro-2-(trifluoromethyl)-alpha,alpha,alpha,4-Tetrafluoro-o-toluidineNSC-10325T5T8A7TV37RefChem:1070669206-886-72-Amino-5-fluorobenzotrifluorideMFCD000078314-Fluoro-2-trifluoromethyl-phenylamine4-Fluoro-2-trifluoromethylaniline

이름 더 보기

2-Amino-5-fluorobenz4-Fluoro-2-(Trifluoromethyl)anα,α,α,4-Tetrafluoro-o-toluidine5-FLUORO-2-AMINOBENZOTRIFLUORIDE2-Amino-5-fluorobenzotrifluoride99%2-(Trifluoromethyl)-4-fluoroaniline2-Amino-5-fluorobenzotrifluoride 99%2-Amino-5-fluorobenzotrifluoride >

NSC103254-Fluoro-2-(trifluoromethyl)benzenamine4-fluoro-2-(trifluoromethyl)-anilineBP-11269EN300-682314-fluoro-2-(trifluoromethyl)phenylaminealpha,alpha,alpha-4-Tetrafluoro-o-toluidineEINECS 206-886-7

데이터베이스 식별자

CAS: 393-39-5
PubChem CID: 67853
DTXSID: DTXSID9022029
ChEBI: CHEBI:230764
UNII: T5T8A7TV37
EC Number: 206-886-7
Nikkaji: J149.712J

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: 70 · 70-72 °C17.5 mm Hg(lit.)
밀도: 1.38 g/mL · 1.38 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.464(lit.)
인화점: 162 °F · 162 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 1.52 · 1.52±0.10(Predicted)
물리적 상태: 투명한 액체
색상: 무색~황색~주황색
Specific Gravity: 1.38 · 1.380
BRN: 2098758 · 2098758
InChI: 1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
InChIKey: LRCQLCWUUBSUOY-UHFFFAOYSA-N
SMILES: Nc1ccc(F)cc1C(F)(F)F
NIST: 4 · Benzenamine, 4-fluoro-2-(trifluoromethyl)-(393-39-5)
EPA: 4 · 4-Fluoro-2-(trifluoromethyl)aniline (393-39-5)

화학적 성질

clear light yellow to pale brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29039990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도4-Fluoro-2-(trifluoromethyl)aniline was used in the preparation of 2-[4-(3-bromophenyl)-7-chloro-6-methyl-2-oxo-2H-chromen-3-yl]-N-[4-fluoro-2-(trifluoro-methyl)phenyl]acetamide.