2-하이드록시-4-(트리플루오로메틸)아닐린

2-Amino-5-(trifluoromethyl)phenol

HCID 15524277

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 454-82-0
표준 SMILES: Nc1ccc(C(F)(F)F)cc1O
InChIKey: ILZRAAUVZAXXKZ-UHFFFAOYSA-N
분자식: C7H6F3NO
평균 분자량: 177.12 g/mol
단동위원소 질량: 177.0401483

이름 및 식별자

우선 이름: 2-Amino-5-(trifluoromethyl)phenol
IUPAC: 2-amino-5-(trifluoromethyl)phenol
현지명: 2-하이드록시-4-(트리플루오로메틸)아닐린
영어명: 2-Hydroxy-4-(trifluoromethyl)aniline
분자식: C7H6F3NO
분자량: 177.12

이름 및 동의어

2-Amino-5-(trifluoromethyl)phenol454-82-02-Hydroxy-4-(trifluoromethyl)anilinePhenol, 2-amino-5-(trifluoromethyl)-2-Hydroxy 4-tfmaENX2MR5ALDTeriflunomide metabolite (2-hydroxy 4-tfma)DTXSID00573628RefChem:85243DTXCID70524400MFCD08056279UNII-ENX2MR5ALD

이름 더 보기

2-하이드록시-4-(트리플루오로메틸)아닐린Phenol,2-amino-5-(trifluoromethyl)-4-Amino-3-hydroxybenzotrifluoride97%2-Amino-5-(trifluoromethyl)phenol 97%4-Amino-3-hydroxybenzotrifluoride 97%2-Hydroxy-4-(trifluoromethyl)aniline97%2-Hydroxy-4-(trifluoromethyl)aniline 97%2-Hydroxy-4-(trifluoromethyl)aniline, 2-Amino-5-(trifluoromethyl)phenol

SCHEMBL10252962-Amino-5-trifluoromethylphenolBL000195SY239152EN300-1214424-Amino-3-hydroxybenzotrifluorideFT-06321542-Hydroxy-4-trifluoromethylaniline

데이터베이스 식별자

CAS: 454-82-0
PubChem CID: 15524277
DTXSID: DTXSID00573628
UNII: ENX2MR5ALD
EC Number: 876-199-0
Nikkaji: J2.374.983A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 350 °C · >350 °C
끓는 점: 233.8 · 233.8±40.0 °C(Predicted)
밀도: 1.432 · 1.432±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 가루
산도 계수 (pKa): 8.75 · 8.75±0.10(Predicted)
색상: Dark fawny beige
InChI: InChI=1S/C7H6F3NO/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H,11H2
InChIKey: ILZRAAUVZAXXKZ-UHFFFAOYSA-N
SMILES: C1(O)=CC(C(F)(F)F)=CC=C1N

안전 및 규제

안전 데이터

HS 번호: 2921420090
hazard_code: Xi
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도2-Hydroxy-4-(trifluoromethyl)aniline, is a building block used in the synthesis of various chemical compounds, such as 2-Isobutyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine (I789265)