2,5-디클로로벤지미다졸

2,5-Dichlorobenzimidazole

HCID 335473CAS 4887-95-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Clc1ccc2nc(Cl)[nH]c2c1
InChIKey: LLIARSREYVCQHL-UHFFFAOYSA-N
분자식: C7H4Cl2N2
평균 분자량: 187.029 g/mol
단동위원소 질량: 185.97515349

이름 및 식별자

우선 이름: 2,5-Dichlorobenzimidazole
IUPAC: 2,6-Dichloro-1H-benzimidazole
현지명: 2,5-디클로로벤지미다졸
영어명: 2,5-Dichlorobenzimidazole
분자식: C7H4Cl2N2
분자량: 187.03

이름 및 동의어

2,5-디클로로벤지미다졸Benzoimidazoleseries2,5-Dichlorobenzimidazole2,5-Dichlorobenzoimidazole2,5-DICHLORO-1H-BENZIMIDAZOLE2,6-Dichloro-1H-benzimidazole2,5-Dichloro-1H-benzoiMidazole1H-Benzimidazole, 2,6-dichloro-2,6-dichloro-1H-1,3-benzodiazole2,5-dichloro-1H-1,3-benzodiazole2,5-dichloro-1H-benzo[d]imidazole

데이터베이스 식별자

CAS: 4887-95-0
PubChem CID: 335473
DTXSID: DTXSID90319416
UNII: 85UMR74GY9
EC Number: 839-594-9

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 207 · 207-208 °C (decomp)
끓는 점: 364.5 · 364.5±34.0 °C(Predicted)
밀도: 1.571 · 1.571±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 8.11 · 8.11±0.10(Predicted)
InChI: InChI=1S/C7H4Cl2N2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)
InChIKey: LLIARSREYVCQHL-UHFFFAOYSA-N
SMILES: C1(Cl)NC2=CC(Cl)=CC=C2N=1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (50%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)；Aquatic Acute 1 (50%)；Aquatic Chronic 1 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2933998090
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids