2-요오도이미다졸

2-iodo-1H-imidazole

HCID 2773468

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3034-62-6
표준 SMILES: Ic1ncc[nH]1
InChIKey: MHHDMDLNVVCTAJ-UHFFFAOYSA-N
분자식: C3H3IN2
평균 분자량: 193.97 g/mol
단동위원소 질량: 193.9341

이름 및 식별자

우선 이름: 2-iodo-1H-imidazole
IUPAC: 2-iodo-1H-imidazole
현지명: 2-요오도이미다졸
영어명: 2-Iodoimidazole
분자식: C3H3IN2
분자량: 193.97

이름 및 동의어

2-iodo-1H-imidazoleRefChem:473664627-466-32-Iodoimidazole3034-62-61H-Imidazole, 2-iodo-MFCD00159701iodoimidazoleCHEMBL45354402-Iodoimidazole, 97%SCHEMBL8970SCHEMBL2352737

이름 더 보기

2-요오도이미다졸2-lodo-1H-imidazole2-Iodoimidazole 97%

DTXSID00378478MHHDMDLNVVCTAJ-UHFFFAOYSA-NBDBM50622814SBB054450AKOS005255524AB04195AC-1054PS-3338

데이터베이스 식별자

CAS: 3034-62-6
PubChem CID: 2773468
DTXSID: DTXSID00378478
ChEMBL: CHEMBL4535440
EC Number: 627-466-3
Nikkaji: J1.859.061A

물성

구조 계산 물성

XLogP: 0.5
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: 182 · 182-186°C
끓는 점: 299.3 · 299.3±23.0 °C(Predicted)
밀도: 2.335 · 2.335±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
물리적 상태: 고체
산도 계수 (pKa): 11.46 · 11.46±0.10(Predicted)
색상: 하얀색
InChI: 1S/C3H3IN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKey: MHHDMDLNVVCTAJ-UHFFFAOYSA-N
SMILES: Ic1ncc[nH]1

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 84.4% (38 of 45) of all reports.

Warning

H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (15.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 38 of 45 reports by companies.；There are 3 notifications provided by 7 of 45 reports by companies with hazard statement code(s).；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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (15.6%)；Eye Irrit. 2A (15.6%)；STOT SE 3 (15.6%)

안전 데이터

wgk: 3
HS 번호: 2933299090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Reactant involved in:Alkylation leading to alkyl derivatives with antibacterial activityIodination of N-tritylimidazolePhotochemical intramolecular aromatic substitutionsSynthesis of cyclopentapyrazines using thermolysis