3-Chloro-6-phenylpyridazine

HCID 88515CAS 20375-65-9

기본 정보

표준 SMILES: Clc1ccc(-c2ccccc2)nn1
InChIKey: BUBRFWDEAVIFMV-UHFFFAOYSA-N
분자식: C10H7ClN2
평균 분자량: 190.63 g/mol
단동위원소 질량: 190.0297759

이름 및 식별자

우선 이름: 3-Chloro-6-phenylpyridazine
IUPAC: 3-chloro-6-phenylpyridazine
영어명: 3-Chloro-6-phenylpyridazine
분자식: C10H7ClN2
분자량: 190.63

이름 및 동의어

3-Chloro-6-phenylpyridazine20375-65-9DTXSID10174302EINECS 243-772-6NSC 28739RefChem:93484DTXCID3096793243-772-6Pyridazine, 3-chloro-6-phenyl-3-Phenyl-6-chloropyridazine3-Chloro-6-phenyl-pyridazineMFCD00075253

이름 더 보기

6-Phenyl-3-chloropyridazinePyridazine,3-chloro-6-phenyl-3-Chloro-6-phenylpyridazine97%3-Chloro-6-phenylpyridazine 97%JR-8838, 3-Chloro-6-phenylpyridazine, 97%3-CHLORO-6-PHENYLPYRIDAZINE ISO 9001：2015 REACH(6-Chloropyridazin-3-yl)benzene, 3-Chloro-6-phenyl-1,2-diazine

3-chloro-6-phenylpyridazin6-chloro-3-phenylpyridazine3-chloro-6-phenyl pyridazineMLS000780052NSC-28739AKOS005208478SMR0004202356-Phenyl-3-chloropyridazine; NSC 28739; 3-Phenyl-6-chloropyridazine; 6-Chloro-3-phenylpyridazine

데이터베이스 식별자

CAS: 20375-65-9
PubChem CID: 88515
DTXSID: DTXSID10174302
ChEMBL: CHEMBL1874651
UNII: 6R4KXE34TW
EC Number: 243-772-6
Nikkaji: J280.579K

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 157

실험 및 물리화학적 성질

Solubility10.3 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 159 · 159-161 °C (lit.)
끓는 점: 375 · 375.0±22.0 °C(Predicted)
밀도: 1.245 · 1.245±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름 (소량), 메탄올 (소량, 가열)에 용해
물리적 상태: 고체
산도 계수 (pKa): 0.42 · 0.42±0.10(Predicted)
색상: 연한 갈색
InChI: 1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey: BUBRFWDEAVIFMV-UHFFFAOYSA-N
SMILES: Clc1ccc(nn1)-c2ccccc2

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 42 reports by companies from 5 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
HS 번호: 2933998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도3-Chloro-6-phenylpyridazine may be used in the synthesis of 6-substituted phenyl-2-(3í-substituted phenylpyridazin-6í-yl)-2,3,4,5-tetrahydropyridazin-3-ones.

일반 설명3-Chloro-6-phenylpyridazine is an heteroaromatic compound and is investigated by cyclic voltammetry and preparative scale electrolysis in the presence and absence of carbon dioxide. Fluorination of 3-chloro-6-phenylpyridazine with KF under solvent-free conditions in the presence of a phase transfer agent, with or without microwave irradiation is reported.