5-브로모-이미다조[1,2-A]피리딘

5-Bromoimidazo(1,2-a)pyridine

HCID 13037241

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 69214-09-1
표준 SMILES: Brc1cccc2nccn12
InChIKey: CCOFGVWHMYYDBG-UHFFFAOYSA-N
분자식: C7H5BrN2
평균 분자량: 197.03 g/mol
단동위원소 질량: 195.96361

이름 및 식별자

우선 이름: 5-Bromoimidazo(1,2-a)pyridine
IUPAC: 5-bromoimidazo[1,2-a]pyridine
현지명: 5-브로모-이미다조[1,2-A]피리딘
영어명: 5-BROMO-IMIDAZO[1,2-A]PYRIDINE
분자식: C7H5BrN2
분자량: 197.03

이름 및 동의어

5-Bromoimidazo[1,2-a]pyridine69214-09-1DTXSID105159985-Bromoimidazo(1,2-a)pyridineRefChem:102203DTXCID60466805640-633-55-Bromo-imidazo[1,2-a]pyridineMFCD08275698IMIDAZO[1,2-A]PYRIDINE, 5-BROMO-5-BROMOH-IMIDAZO[1,2-A]PYRIDINESCHEMBL10247

이름 더 보기

5-브로모-이미다조[1,2-A]피리딘5-BROMOIMIDAZO[1,2-A]PYRIDINE, 95+%5-BROMO-5H-IMIDAZO[2,1-B][1,3]OXAZINE5-Bromo-1,5-dihydroimidazo[1,2-a]pyridine

SCHEMBL4210791CCOFGVWHMYYDBG-UHFFFAOYSA-NUCA21409SBB092099AKOS006287450CS-W003496PB32607PS-4741

데이터베이스 식별자

CAS: 69214-09-1
PubChem CID: 13037241
DTXSID: DTXSID10515998
EC Number: 640-633-5
Nikkaji: J3.519.579C

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 17.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

물리화학적 성질

녹는점: 61 · 61-64℃
밀도: 1.69 · 1.69±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 5.15 · 5.15±0.50(Predicted)
색상: 옅은 갈색에서 밝은 갈색까지
InChI: InChI=1S/C7H5BrN2/c8-6-2-1-3-7-9-4-5-10(6)7/h1-5H
InChIKey: CCOFGVWHMYYDBG-UHFFFAOYSA-N
SMILES: C12=NC=CN1C(Br)=CC=C2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.