2-브로모-1H-이미다졸

2-Bromo-1H-imidazole

HCID 2773261CAS 16681-56-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Brc1ncc[nH]1
InChIKey: AXHRGVJWDJDYPO-UHFFFAOYSA-N
분자식: C3H3BrN2
평균 분자량: 146.97 g/mol
단동위원소 질량: 145.94796

이름 및 식별자

우선 이름: 2-Bromo-1H-imidazole
IUPAC: 2-bromo-1H-imidazole
현지명: 2-브로모-1H-이미다졸
영어명: 2-Bromo-1H-imidazole
분자식: C3H3BrN2
분자량: 146.97

이름 및 동의어

2-Bromo-1H-imidazole16681-56-4DTXSID40378316RefChem:256932DTXCID40329343626-352-02-BromoimidazoleMFCD02179526bromoimidazoleCHEMBL2920422-bromoimidazol2-bromo imidazole

이름 더 보기

2-브로모-1H-이미다졸mo-1H-imidazolebroMo-1H-iMidazole1H-Imidazole, 2-bromo-Etomidate Impurity 1112-Bromo-1H-imidazole 98%1H-Imidazole,2-bromo-(9CI)2-Bromo-1H-Imidazole(WX637273)

ZCIimidazole, 2-bromo-SCHEMBL68370SCHEMBL2041196SCHEMBL2043331SCHEMBL20439202-Bromo-1H-imidazole, 97%BDBM50622813

데이터베이스 식별자

CAS: 16681-56-4
PubChem CID: 2773261
DTXSID: DTXSID40378316
ChEMBL: CHEMBL292042
EC Number: 626-352-0
Nikkaji: J420.209K

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 48

물리화학적 성질

녹는점: 197 · 197-202 °C
끓는 점: 273.1 · 273.1±23.0 °C(Predicted)
밀도: 1.904 · 1.904±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 11.23 · 11.23±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKey: AXHRGVJWDJDYPO-UHFFFAOYSA-N
SMILES: C1(Br)NC=CN=1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 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.