CAS 67085-12-5 1-[2-Chloro-4-(4-chlorophenyl)butyl]-1H-imidazole (HCID 12432034)

기본 정보

CAS: 67085-12-5
표준 SMILES: Clc1ccc(CCC(Cl)Cn2ccnc2)cc1
InChIKey: PJMMKIMXEKRAAT-UHFFFAOYSA-N
분자식: C13H14Cl2N2
평균 분자량: 269.17 g/mol
단동위원소 질량: 268.05340381

이름 및 식별자

우선 이름: 1-[2-Chloro-4-(4-chlorophenyl)butyl]-1H-imidazole
IUPAC: 1-[2-chloro-4-(4-chlorophenyl)butyl]imidazole
영어명: 1-(2-Chloro-4-(4-chlorophenyl)butyl)-1H-imidazole
분자식: C13H14Cl2N2
분자량: 269.17

이름 및 동의어

1-(2-chloro-4-(4-chlorophenyl)butyl)-1h-imidazole1-[2-chloro-4-(4-chlorophenyl)butyl]imidazole1-[2-chloro-4-(4-chlorophenyl)butyl]-1H-imidazole1-(2-chloro-4-(4-chlorophenyl)butyl)imidazoleRefChem:421733614-018-7922-674-367085-12-568055-81-21-[2-CHLORO-4-(4-CHLOROPHENYL)-BUTYL]-IMIDAZOL-MFCD09839705C13H14Cl2N2

이름 더 보기

Butoconazole nitrate INT IIIButoconazole 2-Chloro ImpurityINTERMEDIATE:BUTOCONAZOLENITRATE1H-Imidazole, 1-[2-chloro-4-(4-chlorophenyl)butyl]-1-[2-Chloro-4-(4-chlorophenyl)butyl]-1H-imidazole (>1-[2-Chloro-4-(4-chlorophenyl)butyl]-1H-imidazole (>85%)

Butoconazole Impurity 31-[2-Chloro-4-(4-chlorophenyl)butyl]-1H-imidazole (>85%)Butoconazole Impurity 3;G4Z2Y6XMU2SCHEMBL3954398Butoconazole Nitrate Impurity 1PJMMKIMXEKRAAT-UHFFFAOYSA-NDTXSID901233192

데이터베이스 식별자

CAS: 67085-12-5
PubChem CID: 12432034
DTXSID: DTXSID901233192
UNII: G4Z2Y6XMU2
EC Number: 614-018-7、922-674-3

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 217

물리화학적 성질

끓는 점: 442.6 · 442.6±40.0 °C(Predicted)
밀도: 1.22 · 1.22
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO
산도 계수 (pKa): 6.68 · 6.68±0.12(Predicted)
물리적 상태: 고체
색상: 연한 갈색에서 주황색까지
안정성: 흡습성

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.