6-Chloropyridazin-3-ol

HCID 252828CAS 19064-67-6

기본 정보

표준 SMILES: O=c1ccc(Cl)n[nH]1
InChIKey: YICPBKWYZXFJNB-UHFFFAOYSA-N
분자식: C4H3ClN2O
평균 분자량: 130.53 g/mol
단동위원소 질량: 129.9933904

이름 및 식별자

우선 이름: 6-Chloropyridazin-3-ol
IUPAC: 3-chloro-1H-pyridazin-6-one
영어명: 6-Chloropyridazin-3-ol
분자식: C4H3ClN2O
분자량: 130.53

이름 및 동의어

6-chloropyridazin-3-olDTXSID30291363RefChem:1073895DTXCID8024250719064-67-66-Chloro-3-hydroxypyridazine6-chloropyridazin-3(2H)-one3(2H)-Pyridazinone, 6-chloro-3-Chloro-6-hydroxypyridazine6-chloro-2H-pyridazin-3-one6-Chloro-3(2H)-pyridazinone3-chloro-1H-pyridazin-6-one

이름 더 보기

Nsc750716-Chloropyridazine-3-ol6-Chloro-3-hydroxypyridaz...

3-Chloro-6-pyridazoneMFCD001604603-Hydroxy-6-chloropyridazine6-Chloro-3(2H)pyridazinone6-Chloro-3-pyridazinol6-chloro-2,3-dihydropyridazin-3-oneMLS0007368186-chloropyridazin-3(2 H)-one

데이터베이스 식별자

CAS: 19064-67-6
PubChem CID: 252828
DTXSID: DTXSID30291363
ChEMBL: CHEMBL1385200
UNII: E2DZ9GC2KF
EC Number: 678-370-3
Nikkaji: J100.420D

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 41.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 173

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 140 to · 140.0 to 144.0 °C
밀도: 1.55 · 1.55±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 9.8 · 9.80±0.40(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C4H3ClN2O/c5-3-1-2-4(8)7-6-3/h1-2H,(H,7,8)
InChIKey: YICPBKWYZXFJNB-UHFFFAOYSA-N
SMILES: C1(=O)NN=C(Cl)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (20%)

안전 데이터

HS 번호: 2933998090
risk_code: 22
hazard_code: Xn
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도6-Chloropyridazin-3-ol is a white to almost white powder or crystal, which can be used as a raw material for organic synthesis or as a pharmaceutical intermediate.