2-메틸-4-(1,1,1,2,3,3,3-헵타플루오로-2-프로필)아닐린

4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylaniline

HCID 9925543

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 238098-26-5
표준 SMILES: Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1N
InChIKey: QVAUOEHPYOFAQA-UHFFFAOYSA-N
분자식: C10H8F7N
평균 분자량: 275.17 g/mol
단동위원소 질량: 275.0544968

개요

See also: 4-Heptafluoroisoproyl-2methylaniline (annotation moved to).

이름 및 식별자

우선 이름: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylaniline
IUPAC: 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylaniline
현지명: 2-메틸-4-(1,1,1,2,3,3,3-헵타플루오로-2-프로필)아닐린
영어명: 2-methyl-4-（1,1,1,2,3,3,3-heptafluoro-2-propyl）aniline
분자식: C10H8F7N
분자량: 275.17

이름 및 동의어

4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylanilineDTXSID40432922RefChem:510020DTXCID10383750487-120-0238098-26-52-Methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)aniline2-methyl-4-heptafluoroisopropylanilineC10H8F7NMFCD131858892-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]aniline2-Methyl-4-(heptafluoroisopropyl)aniline

이름 더 보기

2-메틸-4-(1,1,1,2,3,3,3-헵타플루오로-2-프로필)아닐린2-methyl-4-（1,1,1,2,3,3,3-heptafluoro-2-propyl）aniline2-Methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]benzenamine

AKOS0057628502-Methyl-4-(perfluoro-2-propyl)aniline2-METHYL-P-(1,2,2,2-TETRAFLUORO-1-TRIFLUOROMETHYLETHYL)PHENYLAMINE2-methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)anilin2-methyl-4-(perfluoropropan-2-yl)aniline2-methyl-4-(heptafluoropropan-2-yl)-anilineBenzenamine, 2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-SCHEMBL2718835

데이터베이스 식별자

CAS: 238098-26-5
PubChem CID: 9925543
DTXSID: DTXSID40432922
EC Number: 487-120-0
Nikkaji: J1.802.423C

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 282

실험 및 물리화학적 성질

PFAS · 3건

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> OECD Category

PFAS -> Other/unspecified

물리화학적 성질

끓는 점: 200 · 200 ºC
밀도: 1.401 · 1.401
인화점: 83 · 83 ºC
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 2.52 · 2.52±0.10(Predicted)
색상: 연한 갈색
InChI: InChI=1S/C10H8F7N/c1-5-4-6(2-3-7(5)18)8(11,9(12,13)14)10(15,16)17/h2-4H,18H2,1H3
InChIKey: QVAUOEHPYOFAQA-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1C
EPA: 4 · 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylaniline (238098-26-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 03-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/13662

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

용도 및 제조

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

상·하류 제품 정보

상류 원료

공급사100 곳

上海利卡斯实业有限公司19821976800 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

화합물 노트

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