3-클로로-6-(메틸설포닐)피리다진

3-Chloro-6-(methylsulfonyl)pyridazine

HCID 252476CAS 7145-62-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CS(=O)(=O)c1ccc(Cl)nn1
InChIKey: BUHGCLPAHGFCLE-UHFFFAOYSA-N
분자식: C5H5ClN2O2S
평균 분자량: 192.62 g/mol
단동위원소 질량: 191.97602608

이름 및 식별자

우선 이름: 3-Chloro-6-(methylsulfonyl)pyridazine
IUPAC: 3-chloro-6-methylsulfonylpyridazine
현지명: 3-클로로-6-(메틸설포닐)피리다진
영어명: 3-Chloro-6-(methylsulfonyl)pyridazine
분자식: C5H5ClN2O2S
분자량: 192.62

이름 및 동의어

3-chloro-6-(methylsulfonyl)pyridazine7145-62-23-chloro-6-methanesulfonylpyridazineDTXSID30291247RefChem:500253DTXCID10242393969-980-33-chloro-6-methylsulfonylpyridazineMFCD03931474Pyridazine, 3-chloro-6-(methylsulfonyl)-NSC74444NCIOpen2_000550

이름 더 보기

3-클로로-6-(메틸설포닐)피리다진3-Chloro-6-(methylsulfonyl)3-bromo-6-(methylsulfonyl)pyridazine

SCHEMBL427846SCHEMBL30252450BUHGCLPAHGFCLE-UHFFFAOYSA-NNSC 74444NSC-74444AKOS0062811843-Chloro-6-(methanesulfonyl)pyridazineDA-23752

데이터베이스 식별자

CAS: 7145-62-2
PubChem CID: 252476
DTXSID: DTXSID30291247
EC Number: 969-980-3

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 68.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 223

물리화학적 성질

끓는 점: 451.4 · 451.4±45.0 °C(Predicted)
밀도: 1.486 · 1.486±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -2.66 · -2.66±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.