6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one

HCID 689108CAS 36725-37-8

기본 정보

표준 SMILES: O=C1CCC(c2ccc(Br)cc2)=NN1
InChIKey: CDDNLMGOLYMTSF-UHFFFAOYSA-N
분자식: C10H9BrN2O
평균 분자량: 253.09 g/mol
단동위원소 질량: 251.98982501

이름 및 식별자

우선 이름: 6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one
IUPAC: 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
영어명: 6-(4-Bromophenyl)-4 5-dihydro-2H-pyrida&
분자식: C10H9BrN2O
분자량: 253.1

이름 및 동의어

36725-37-86-(4-bromophenyl)-4,5-dihydropyridazin-3(2h)-oneDTXSID70351051RefChem:1073694DTXCID603021186-(4-Bromophenyl)-4,5-dihydro-2H-pyridazin-3-one6-(4-bromophenyl)-2,3,4,5-tetrahydropyridazin-3-one3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-oneMFCD002034906-(4-Bromophenyl)-4,5-dihydro-3(2H)-pyridazinone6-(4-Bromo-phenyl)-4,5-dihydro-2H-pyridazin-3-one6-(4-bromophenyl)-2,4,5-trihydropyridazin-3-one

이름 더 보기

6-(4-Bromophenyl)-4 5-dihydro-2H-pyrida&3(2H)-Pyridazinone, 6-(4-bromophenyl)-4,5-dihydro-JRH-07004, 6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one, 97%

SCHEMBL927560CDDNLMGOLYMTSF-UHFFFAOYSA-NHMS1661D11HMS3446O12LBA72537SBB079238AKOS001370002CCG-139876

데이터베이스 식별자

CAS: 36725-37-8
PubChem CID: 689108
DTXSID: DTXSID70351051
EC Number: 670-512-2
Nikkaji: J1.842.170D

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 41.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 257

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical structure

물리화학적 성질

녹는점: 167 · 167-171 °C(lit.)
InChI: 1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKey: CDDNLMGOLYMTSF-UHFFFAOYSA-N
SMILES: Brc1ccc(cc1)C2=NNC(=O)CC2

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.