4-Fluoro-3-(trifluoromethyl)aniline

HCID 75377CAS 2357-47-3

기본 정보

표준 SMILES: Nc1ccc(F)c(C(F)(F)F)c1
InChIKey: PGFQDLOMDIBAPY-UHFFFAOYSA-N
분자식: C7H5F4N
평균 분자량: 179.11 g/mol
단동위원소 질량: 179.03581204

이름 및 식별자

우선 이름: 4-Fluoro-3-(trifluoromethyl)aniline
IUPAC: 4-fluoro-3-(trifluoromethyl)aniline
영어명: 4-Fluoro-3-(trifluoromethyl)aniline
분자식: C7H5F4N
분자량: 179.11

이름 및 동의어

4-Fluoro-3-(trifluoromethyl)aniline2357-47-35-Amino-2-fluorobenzotrifluorideBenzenamine, 4-fluoro-3-(trifluoromethyl)-3-Trifluoromethyl-4-fluoroanilinealpha,alpha,alpha,4-Tetrafluoro-m-toluidine4-Fluoro-3-(trifluoromethyl)benzenamineEINECS 219-095-7UNII-V5584X2CTLV5584X2CTL2-Fluoro-5-aminobenzotrifluoride3-amino-6-fluorobenzotrifluoride

이름 더 보기

BUTTPARK 45\03-724-Fluoro-3-(trifluor2-Fluoro-5-aminotrifluoride5-Amino-2-Fluorobenzotrifluori3-TrifluoroMethyl-4-fluoroa...α,α,α,4-Tetrafluoro-m-toluidine5-AMINO-2-FLUOROBENZTRIFLUORIDE2-Fluoro-2-aminobenzotrifluoride

4-fluoro-3-trifluoromethylphenylamineNSC-10326alpha,alpha,alpha-4-Tetrafluoro-m-toluidineDTXSID1022184PGFQDLOMDIBAPY-UHFFFAOYSA-NSC 10326m-Toluidine, .alpha.,.alpha.,.alpha.,4-tetrafluoro-3-TRIFLUOROMETHYL-4-FLUOROPHENYLAMINE

데이터베이스 식별자

CAS: 2357-47-3
PubChem CID: 75377
DTXSID: DTXSID1022184
UNII: V5584X2CTL
EC Number: 219-095-7
Nikkaji: J149.966A

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: 207 · 207-208 °C (lit.)
밀도: 1.393 g/mL · 1.393 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.466(lit.)
인화점: 197 °F · 197 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 3.43 · 3.43±0.10(Predicted)
색상: 무색
Specific Gravity: 1.41 · 1.41
BRN: 641587 · 641587
InChI: InChI=1S/C7H5F4N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
InChIKey: PGFQDLOMDIBAPY-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C(C(F)(F)F)=C1
NIST: 4 · Benzenamine, 4-fluoro-3-(trifluoromethyl)-(2357-47-3)

화학적 성질

clear yellow to brown-red 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 47 reports by companies from 6 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
ridadr: 2811
HS 번호: 29214300
risk_code: 20/21/22-36/37/38-23-21/22
hazard_code: Xn,Xi,T
safety_code: 26-36-45-36/37/39
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: 10 - Combustible liquids

화학 및 산업

응용 분야

용도4-Fluoro-3-(trifluoromethyl)aniline was used in the synthesis of well-defined rod-coil block copolymers of trifluoromethylated poly(phenylene oxide).