3-Hydroxypyridine-2-methanol

HCID 84169CAS 14047-53-1

기본 정보

표준 SMILES: OCc1ncccc1O
InChIKey: ZJRBRKUGRKKZOO-UHFFFAOYSA-N
분자식: C6H7NO2
평균 분자량: 125.13 g/mol
단동위원소 질량: 125.04767846

이름 및 식별자

우선 이름: 3-Hydroxypyridine-2-methanol
IUPAC: 2-(hydroxymethyl)pyridin-3-ol
영어명: 2-(Hydroxymethyl)pyridin-3-ol
분자식: C6H7NO2
분자량: 125.13

이름 및 동의어

2-Pyridinemethanol, 3-hydroxy-3-Hydroxypyridine-2-methanolEINECS 237-883-9DTXSID00161408NSC 18473RefChem:502600DTXCID9083899237-883-92-(hydroxymethyl)pyridin-3-ol14047-53-13-HYDROXY-2-PYRIDINEMETHANOL2-(Hydroxymethyl)-3-pyridinol

이름 더 보기

Oxetane,7-[(phenylsulfonyl)methylene]-2-(HYDROXYMETHYL)PYRIDIN-3-OL ISO 9001：2015 REACH

MFCD00128114CC5XC2T8UZMLS000737836NSC-18473NSC2411733-Hydroxy-2-pyridylmethanol2-(Hydroxymethyl)pyridine-3-olNSC18473

데이터베이스 식별자

CAS: 14047-53-1、14173-30-9
PubChem CID: 84169
DTXSID: DTXSID00161408
ChEMBL: CHEMBL1367321
UNII: CC5XC2T8UZ
EC Number: 237-883-9
Nikkaji: J215.903A

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 53.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 87.1

실험 및 물리화학적 성질

Collision Cross Section122.1 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID90161811]

물리화학적 성질

녹는점: 132 °C · 132 °C
끓는 점: 393.2 · 393.2±27.0 °C(Predicted)
밀도: 1.318 · 1.318±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): 8.1 · 8.10±0.10(Predicted)

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.