2-Methyl-4-(trifluoromethoxy)aniline

HCID 2775546

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 86256-59-9
표준 SMILES: Cc1cc(OC(F)(F)F)ccc1N
InChIKey: IIDBMILLZRYZCH-UHFFFAOYSA-N
분자식: C8H8F3NO
평균 분자량: 191.15 g/mol
단동위원소 질량: 191.05579854

이름 및 식별자

우선 이름: 2-Methyl-4-(trifluoromethoxy)aniline
IUPAC: 2-methyl-4-(trifluoromethoxy)aniline
영어명: 2-Methyl-4-(trifluoromethoxy)aniline
분자식: C8H8F3NO
분자량: 191.15

이름 및 동의어

2-methyl-4-(trifluoromethoxy)aniline86256-59-9DTXSID60379582RefChem:263398DTXCID10330608679-059-5MFCD016315412-METHYL-4-TRIFLUOROMETHOXYANILINE2-METHYL-4-(TRIFLUOROMETHOXY)BENZENAMINE2-Methyl-4-(trifluoromethoxy) aniline4-trifluoromethoxy-2-methylanilineBenzenamine, 2-methyl-4-(trifluoromethoxy)-

이름 더 보기

4-TRIFLUOROMETHOXY-O-TOLUIDINE2-Methyl-4-(trifluoromethoxy)aniline 97%4-(Trifluoromethoxy)-o-toluidine (NH2=1)2-Methyl-4-(trifluoromethoxy)aniline, 97+%2-Amino-5-(trifluoromethoxy)toluene, 4-(Trifluoromethoxy)-o-toluidine2-Amino-5-(trifluoromethoxy)toluene, 4-Amino-3-methyl-alpha,alpha,alpha-trifluoroanisole

2-methyl-4-(trifluoromethoxy)phenylamineSCHEMBL1039855SCHEMBL29382481CL8402SBB091256AKOS006230210CS-W013219PB43594

데이터베이스 식별자

CAS: 86256-59-9
PubChem CID: 2775546
DTXSID: DTXSID60379582
EC Number: 679-059-5

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 171

물리화학적 성질

끓는 점: 206.9 · 206.9±35.0 °C(Predicted)
밀도: 1.288 · 1.288±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 3.59 · 3.59±0.10(Predicted)
물리적 상태: 액체
색상: 무색
InChI: InChI=1S/C8H8F3NO/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4H,12H2,1H3
InChIKey: IIDBMILLZRYZCH-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OC(F)(F)F)C=C1C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302+H312+H332 (86.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.