2,4,5-Trifluoroaniline

HCID 94953CAS 367-34-0

기본 정보

표준 SMILES: Nc1cc(F)c(F)cc1F
InChIKey: QMYVWJVVVMIBMM-UHFFFAOYSA-N
분자식: C6H4F3N
평균 분자량: 147.1 g/mol
단동위원소 질량: 147.02958379

이름 및 식별자

우선 이름: 2,4,5-Trifluoroaniline
IUPAC: 2,4,5-trifluoroaniline
영어명: 2,4,5-Trifluoroaniline
분자식: C6H4F3N
분자량: 147.1

이름 및 동의어

2,4,5-Trifluoroaniline367-34-0Benzenamine, 2,4,5-trifluoro-EINECS 206-692-2QMYVWJVVVMIBMM-UHFFFAOYSA-AI3-52252DTXSID50190147NSC 10289RefChem:82024DTXCID60112638206-692-2InChI=1/C6H4F3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2

이름 더 보기

2,4,5-Trifluoroanili2,4,5-tifluoroaniline2,4,5-trifluoroaniune2,4,5-Trifluoroaniline99%2,4,5-Trifluoroaniline,98%2,4,5-Trifluoroaniline 99%2,4,5-Trifluorobenzaniline

QMYVWJVVVMIBMM-UHFFFAOYSA-N2,4,5-trifluorophenylamine2,4,5-trifluorobenzenamineMFCD0000764984X2Y688WR2,4,5-trifloro anilineNSC-10289SCHEMBL11695

데이터베이스 식별자

CAS: 367-34-0
PubChem CID: 94953
DTXSID: DTXSID50190147
UNII: 84X2Y688WR
EC Number: 206-692-2
Nikkaji: J193.878I

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 120

물리화학적 성질

녹는점: 59 · 59-63 °C(lit.)
끓는 점: 100.5 °C · 100.5°C (rough estimate)
밀도: 1.351 · 1.3510 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 2.25 · 2.25±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 베이지색
BRN: 2085734 · 2085734
InChI: InChI=1S/C6H4F3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChIKey: QMYVWJVVVMIBMM-UHFFFAOYSA-N
SMILES: C1(N)=CC(F)=C(F)C=C1F

화학적 성질

beige crystalline powder

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 46 reports by companies from 5 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: 2941
HS 번호: 29214200
risk_code: 20/21/22-36/37/38-41-38-21/22
hazard_code: Xn,Xi,T
safety_code: 26-36-36/37/39
포장분류: III
위험 등급: 6.1
기존화학 물질: KE-34236
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도2,4, 5-trifluoroaniline is a fluorinating reagent, mainly used as a raw material or intermediate in organic synthesis. It can react with acids to prepare 2,4, 5-trifluorophenacetic acid. It can also be used in the synthesis of agricultural chemicals, pharmaceuticals, dyes and special chemicals.