6-(Trifluoromethyl)pyridine-3-methanol

HCID 3613895CAS 386704-04-7

기본 정보

표준 SMILES: OCc1ccc(C(F)(F)F)nc1
InChIKey: CBSXUFWMVOAHTK-UHFFFAOYSA-N
분자식: C7H6F3NO
평균 분자량: 177.12 g/mol
단동위원소 질량: 177.0401483

이름 및 식별자

우선 이름: 6-(Trifluoromethyl)pyridine-3-methanol
IUPAC: [6-(trifluoromethyl)-3-pyridinyl]methanol
영어명: 6-(Trifluoromethyl)pyridine-3-methanol
분자식: C7H6F3NO
분자량: 177.12

이름 및 동의어

386704-04-76-(Trifluoromethyl)pyridine-3-methanolDTXSID30394247RefChem:306994DTXCID20345107626-601-3(6-(trifluoromethyl)pyridin-3-yl)methanol[6-(trifluoromethyl)pyridin-3-yl]methanol[6-(Trifluoromethyl)-3-pyridyl]methanolMFCD018626482-(trifluoromethyl)pyridine-5-methanol5-(hydroxymethyl)-2-(trifluoromethyl)pyridine

이름 더 보기

RARECHEM AL BD 12316-TRIFLUOROMETHYL-3-PYRIDYLMETHANOL6-TRIFLUOROMETHYL-3-PYRIDINEMETHANOL6-(Trifluoromethyl)pyridine-3-methano(6-(trifluoromethyl)pyridin-3-y1)methanol

3-Pyridinemethanol,6-(trifluoromethyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol6-(trifluoromethyl)pyridin-3-methanol3-Pyridinemethanol, 6-(trifluoromethyl)-SCHEMBL132198SCHEMBL452178SCHEMBL29525326SBB054790

데이터베이스 식별자

CAS: 386704-04-7
PubChem CID: 3613895
DTXSID: DTXSID30394247
EC Number: 626-601-3

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 148

물리화학적 성질

끓는 점: 100 · 100-102/0.75mm
밀도: 1.362 · 1.362±0.06 g/cm3(Predicted)
인화점: 110 °C · 110 °C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 13.36 · 13.36±0.10(Predicted)
색상: 갈색
InChI: InChI=1S/C7H6F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-3,12H,4H2
InChIKey: CBSXUFWMVOAHTK-UHFFFAOYSA-N
SMILES: C1=NC(C(F)(F)F)=CC=C1CO

안전 및 규제

안전 데이터

wgk: 3
ridadr: UN 2810 6.1/PG 3
HS 번호: 2933399990
risk_code: 25-37/38-41-43
hazard_code: T,Xi
safety_code: 26-36/37/39-45
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects