[2-메틸-6-(트리플루오로메틸)피리딘-3-일]메탄올

(2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol

HCID 2760122CAS 113265-44-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc(C(F)(F)F)ccc1CO
InChIKey: PXDNFCWBWHATSU-UHFFFAOYSA-N
분자식: C8H8F3NO
평균 분자량: 191.15 g/mol
단동위원소 질량: 191.05579836

이름 및 식별자

우선 이름: (2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol
IUPAC: [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
현지명: [2-메틸-6-(트리플루오로메틸)피리딘-3-일]메탄올
영어명: [2-Methyl-6-(trifluoromethyl)pyridin-3-yl]methanol
분자식: C8H8F3NO
분자량: 191.15

이름 및 동의어

(2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol681260-50-4[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methanolDTXSID60375029RefChem:206170DTXCID40326059113265-44-42-Methyl-6-(Trifluoromethyl)pyridine-3-methanolMFCD034079893-Pyridinemethanol, 2-methyl-6-(trifluoromethyl)-SCHEMBL2866080SBB091250

이름 더 보기

[2-메틸-6-(트리플루오로메틸)피리딘-3-일]메탄올2-methyl-6-(trifluoromethyl)-3-Pyridinemethanol[2-Methyl-6-(trifluoromethyl)pyridin-3-yl]methanol97%

AKOS006346486AB14056FS-1439DB-073967CS-0312681H59425EN300-8093389[2-methyl-6-(trifluoromethyl)-3-pyridyl]methanol

데이터베이스 식별자

CAS: 113265-44-4、681260-50-4
PubChem CID: 2760122
DTXSID: DTXSID60375029
EC Number: 179-529-5、672-970-9

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 33.1 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: 227 ℃ · 227℃
밀도: 1.306 · 1.306
인화점: 91 ℃ · 91℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 13.39 · 13.39±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.