2-Chloro-3-pyridinol (HCID 81136)

개요

structure in first source

이름 및 식별자

우선 이름: 2-Chloro-3-pyridinol
IUPAC: 2-chloropyridin-3-ol
영어명: 2-Chloro-3-hydroxypyridine
분자식: C5H4ClNO
분자량: 129.54

이름 및 동의어

2-Chloro-3-hydroxypyridine6636-78-82-Chloro-3-pyridinol3-Pyridinol, 2-chloro-VY212Q0S3JNSC-18469DTXSID3022243RefChem:468746DTXCID002243229-635-32-Chloropyridin-3-olMFCD00006235

이름 더 보기

2-chloro-3-pyridino2-chlorpyridin-3-oloro-3-hydroxypyridine2-CHLORO-PYRIDINE-3-OL2-Chloro-3-pyridinol,98%2-chloro-3-hdyroxypyridine

EINECS 229-635-3BRN 0002216AI3-619893-Pyridinol, 2-chloro- [SCHEMBL188902CS-D0978AKOS000431571AC-4666

데이터베이스 식별자

CAS: 6636-78-8
PubChem CID: 81136
DTXSID: DTXSID3022243
ChEMBL: CHEMBL4636200
UNII: VY212Q0S3J
EC Number: 229-635-3
Nikkaji: J51.351B

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 78.8

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 170 · 170-172 °C (lit.)
끓는 점: 316.2 · 316.2±22.0 °C(Predicted)
밀도: 1.2309 · 1.2309 (rough estimate)
굴절률: 1.451 · 1.4510 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 4.32 · 4.32±0.10(Predicted)
물리적 상태: 가루
색상: 라이트 베이지
BRN: 2216 · 2216
InChI: InChI=1S/C5H4ClNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
InChIKey: RSOPTYAZDFSMTN-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC=C1O
NIST: 2 · 2-Chloro-3-pyridinol(6636-78-8)

화학적 성질

light beige powder

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: UU7707000
HS 번호: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-24/25-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Chloro-3-hydroxypyridine has been used in the preparation of 3-hydroxypyridine-2( 1 H)-selone. It has also been used in the synthesis of all four possible benzo[4,5]furopyridine tricyclic heterocycles: benzo[4,5]furo[2,3-b]pyridine, benzo[4,5]furo[2,3-c]pyridine, benzo[4,5]furo[3,2-c]pyridine, and benzo[4,5]furo[3,2-b]pyridine. the synthesis involves α and γ-activation of chloropyridines, as well as palladium-mediated reactions.