3,5-DibroMo-1-메틸피라진-2(1H)-온

3,5-Dibromo-1-methyl-1H-pyrazin-2-one

HCID 13062969

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 87486-34-8
표준 SMILES: Cn1cc(Br)nc(Br)c1=O
InChIKey: LNVJQIHAUHVGEV-UHFFFAOYSA-N
분자식: C5H4Br2N2O
평균 분자량: 267.91 g/mol
단동위원소 질량: 265.86903695

이름 및 식별자

우선 이름: 3,5-Dibromo-1-methyl-1H-pyrazin-2-one
IUPAC: 3,5-dibromo-1-methylpyrazin-2-one
현지명: 3,5-DibroMo-1-메틸피라진-2(1H)-온
영어명: 3,5-DibroMo-1-Methylpyrazin-2(1H)-one
분자식: C5H4Br2N2O
분자량: 267.91

이름 및 동의어

3,5-Dibromo-1-methyl-1H-pyrazin-2-oneRefChem:486619960-811-93,5-Dibromo-1-methylpyrazin-2(1H)-one87486-34-83,5-dibromo-1-methylpyrazin-2-oneMFCD120226173,5-dibromo-1-methyl-pyrazin-2-one2(1H)-Pyrazinone, 3,5-dibromo-1-methyl-3,5-dibromo-1-methyl-1,2-dihydropyrazin-2-oneSCHEMBL171024DTXSID30516841

이름 더 보기

3,5-DibroMo-1-메틸피라진-2(1H)-온3,5-Dibromo-1-methylpyrazin-2(1H)2-methyl-1,3-thiazole-23-carboxylic acid

LNVJQIHAUHVGEV-UHFFFAOYSA-NCS-B0088AKOS015834411GS-44063,5-dibromo-1-methyl-2(1H)pyrazinoneSY0380833,5-Dibromo-1-methylpyrazine-2(1H)-one3,5-dibromo-1-methyl pyrazin-2(1H)-one

데이터베이스 식별자

CAS: 87486-34-8
PubChem CID: 13062969
DTXSID: DTXSID30516841
EC Number: 960-811-9

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 32.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 234

물리화학적 성질

녹는점: 98 °C · 98 °C
끓는 점: 261.9 · 261.9±50.0 °C(Predicted)
밀도: 2.2 · 2.20±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -6.54 · -6.54±0.70(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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.