4-(클로로-디플루오로-메톡시)-페닐아민

4-(Chlorodifluoromethoxy)aniline

HCID 572793CAS 39065-95-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(OC(F)(F)Cl)cc1
InChIKey: QDTUQGSYECRXDO-UHFFFAOYSA-N
분자식: C7H6ClF2NO
평균 분자량: 193.58 g/mol
단동위원소 질량: 193.01059793

이름 및 식별자

우선 이름: 4-(Chlorodifluoromethoxy)aniline
IUPAC: 4-[chloro(difluoro)methoxy]aniline
현지명: 4-(클로로-디플루오로-메톡시)-페닐아민
영어명: 4-(Chloro-difluoro-methoxy)-phenylamine
분자식: C7H6ClF2NO
분자량: 193.58

이름 및 동의어

4-(chlorodifluoromethoxy)aniline39065-95-7DTXSID70341396RefChem:288670DTXCID90292477639-301-24-[Chloro(difluoro)methoxy]aniline4-(Chloro-difluoro-methoxy)-phenylamine4-chlorodifluoromethoxyanilineMFCD01820809Benzenamine, 4-(chlorodifluoromethoxy)-4-(CHLORODIFLUOROMETHOXY)BENZENAMINE

이름 더 보기

4-(클로로-디플루오로-메톡시)-페닐아민EOS-60713TIMTEC-BB SBB000319Pinacolborane Impurity 434-(Chlorodifluoromethoxy)aniline95%4-(Chlorodifluoromethoxy)aniline98%4-(Chlorodifluoromethoxy)aniline 98%

4-(chlorodifluoromethoxy)phenylamine4-(chlorodifl4-(Difluorochloromethoxy)aniline; 4-(chlorodifluoromethoxy)benzenamine; 4-(Chloro-difluoro-methoxy)-phenylamineLPA6APF5BKSCHEMBL88125614-(Difluorochloromethoxy)aniline4-(chloro-difluoro-methoxy)aniline4-[Chlorodi(fluoro)methoxy]aniline

데이터베이스 식별자

CAS: 39065-95-7
PubChem CID: 572793
DTXSID: DTXSID70341396
UNII: LPA6APF5BK
EC Number: 639-301-2

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 148

물리화학적 성질

끓는 점: 231.9 · 231.9±40.0 °C(Predicted)
밀도: 1.402 · 1.402±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨)
산도 계수 (pKa): 4.04 · 4.04±0.10(Predicted)
물리적 상태: 액체
색상: 옅은 노랑
InChI: InChI=1S/C7H6ClF2NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
InChIKey: QDTUQGSYECRXDO-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OC(Cl)(F)F)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2921420090
risk_code: 20/21/22-36/37/38-43-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36/37
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Chlorodifluoromethoxyaniline has been used as a reactant for the preparation of arylphthalazines as a potent and orally bioavailable inhibitor of VEGFR-2.