3-Chloro-6-methoxypyridazine

HCID 74403CAS 1722-10-7

기본 정보

표준 SMILES: COc1ccc(Cl)nn1
InChIKey: XBJLKXOOHLLTPG-UHFFFAOYSA-N
분자식: C5H5ClN2O
평균 분자량: 144.56 g/mol
단동위원소 질량: 144.00904046

이름 및 식별자

우선 이름: 3-Chloro-6-methoxypyridazine
IUPAC: 3-chloro-6-methoxypyridazine
영어명: 3-Chloro-6-methoxypyridazine
분자식: C5H5ClN2O
분자량: 144.56

이름 및 동의어

3-CHLORO-6-METHOXYPYRIDAZINE1722-10-7EINECS 217-019-7DTXSID10169213NSC 69819NSC 522667RefChem:93481DTXCID2091704217-019-7InChI=1/C5H5ClN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1HXBJLKXOOHLLTPG-UHFFFAOYSA-NPyridazine, 3-chloro-6-methoxy-

이름 더 보기

TIMTEC-BB SBB004124SPECS AC-907/250140543-Chloro-6-methoxypyrazine3-Chloro-6-methoxy-1,2-diazine

3-chloro-6-methoxy-pyridazineMFCD000064673-methoxy-6-chloropyridazine4NE4MDH8HE6-chloro-3-methoxypyridazine6-chloropyridazin-3-yl methyl etherNSC-69819STK506190

데이터베이스 식별자

CAS: 1722-10-7
PubChem CID: 74403
DTXSID: DTXSID10169213
UNII: 4NE4MDH8HE
EC Number: 217-019-7
Nikkaji: J101.371H

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 35 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 91

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP0.89

물리화학적 성질

녹는점: 84 · 84-85 °C(lit.)
끓는 점: 285 ℃ · 285℃
밀도: 1.292 · 1.292
인화점: 126 ℃ · 126℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 0.74 · 0.74±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 118854 · 118854
InChI: InChI=1S/C5H5ClN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3
InChIKey: XBJLKXOOHLLTPG-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(OC)C=C1

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
HS 번호: 2933998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Chloro-6-methoxypyridazine was used in the preparation of number of α-aryl-α-(pyridazin-3-yl)-acetonitriles.

일반 설명3-Chloro-6-methoxypyridazine undergoes regioselective metallation using various lithium alkylamides, temperatures and solvents (THF and ether). It was lithiated using lithium 2,2,6,6-tetramethylpiperidide during the synthesis of minaprine.