6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine

HCID 313624CAS 28593-24-0

기본 정보

표준 SMILES: Clc1ccc2nncn2n1
InChIKey: OUNXXBYNOUBNPF-UHFFFAOYSA-N
분자식: C5H3ClN4
평균 분자량: 154.56 g/mol
단동위원소 질량: 154.00462378

이름 및 식별자

우선 이름: 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine
IUPAC: 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
영어명: 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine
분자식: C5H3ClN4
분자량: 154.56

이름 및 동의어

6-chloro-[1,2,4]triazolo[4,3-b]pyridazine6-chloro-(1,2,4)triazolo(4,3-b)pyridazineRefChem:541341640-581-328593-24-06-chloro[1,2,4]triazolo[4,3-b]pyridazine6-Chloro-1,2,4-triazolo[4,3-b]pyridazine1,2,4-Triazolo[4,3-b]pyridazine, 6-chloro-MFCD002190476-Chloro-s-triazolo[4,3-b]pyridazines-Triazolo[4,3-b]pyridazine, 6-chloro-MLS000871716

이름 더 보기

AKOS BBS-000025476-Chloro[1,2,4]Triazolo[4,3-b]6-chloro-[1,2,4]triazolo[3,4-f]pyridazine6--1,2,4- three[4,3-B]chlorinepyrazolopyridazine6-CHLORO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE ISO 9001：2015 REACH1,2,4-Triazolo[4,3-b]pyridazine,6-chloro- (CAS No.28593-24-0)

NSC-228162SMR0003092356-chloro-4-hydro-1,2,4-triazolo[4,3-e]pyridazineED5NK55VZ7cid_313624SCHEMBL1426882CHEMBL1602999BDBM90515

데이터베이스 식별자

CAS: 28593-24-0
PubChem CID: 313624
DTXSID: DTXSID60310571
ChEMBL: CHEMBL1602999
UNII: ED5NK55VZ7
EC Number: 640-581-3
Nikkaji: J100.211B

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 131

물리화학적 성질

녹는점: 203 · 203-204 °C
밀도: 1.71 · 1.71±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
산도 계수 (pKa): -0.73 · -0.73±0.30(Predicted)
InChI: InChI=1S/C5H3ClN4/c6-4-1-2-5-8-7-3-10(5)9-4/h1-3H
InChIKey: OUNXXBYNOUBNPF-UHFFFAOYSA-N
SMILES: C12=NN=CN1N=C(Cl)C=C2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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