alpha,alpha-Diphenyl-4-pyridinemethanol

HCID 74177CAS 1620-30-0

기본 정보

표준 SMILES: OC(c1ccccc1)(c1ccccc1)c1ccncc1
InChIKey: MRHLFZXYRABVOZ-UHFFFAOYSA-N
분자식: C18H15NO
평균 분자량: 261.3 g/mol
단동위원소 질량: 261.1153641

이름 및 식별자

우선 이름: alpha,alpha-Diphenyl-4-pyridinemethanol
IUPAC: diphenyl(pyridin-4-yl)methanol
영어명: Diphenyl(4-pyridyl)methanol
분자식: C18H15NO
분자량: 261.32

이름 및 동의어

1620-30-0alpha-(4-Pyridyl)benzhydryl alcoholalpha,alpha-Diphenyl-4-pyridinemethanolDTXSID80167281RefChem:1076395DTXCID5089772216-584-7diphenyl(pyridin-4-yl)methanolalpha-(4-Pyridyl)benzhydroldiphenyl(4-pyridyl)methanol4-Pyridinemethanol, alpha,alpha-diphenyl-Diphenyl-4-pyridylmethanol

이름 더 보기

(4-Pyridyl)benzhydrolα-(4-Pyridyl)benzhydrol4-Pyridyldiphenylmethanol(4-Pyridyl)diphenylmethanoliphenyl(pyridin-4-yl)methanolα,α-Diphenyl-4-pyridylmethanol

MFCD00006434Diphenyl(4-pyridinyl)methanolFE82648Q6HNSC-525212diphenyl-4-pyridylmethan-1-olEINECS 216-584-7NSC525212A-4-Pyridylbenzhydrol

데이터베이스 식별자

CAS: 1620-30-0
PubChem CID: 74177
DTXSID: DTXSID80167281
ChEMBL: CHEMBL1493249
UNII: FE82648Q6H
EC Number: 216-584-7
Nikkaji: J195.243I

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 268

물리화학적 성질

녹는점: 240 °C · 240 °C
끓는 점: 445.3 · 445.3±40.0 °C(Predicted)
밀도: 1.169 · 1.169±0.06 g/cm3(Predicted)
물리적 상태: powder to crystal
산도 계수 (pKa): 11.82 · 11.82±0.29(Predicted)
색상: White to Light yellow to Light red

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.