4-(트리플루오로메톡시)벤즈아미드옥심

4-(Trifluoromethoxy)benzamidoxime

HCID 2733309CAS 1570043-14-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=NO)c1ccc(OC(F)(F)F)cc1
InChIKey: COHKFOZYLCDVRK-UHFFFAOYSA-N
분자식: C8H7F3N2O2
평균 분자량: 220.15 g/mol
단동위원소 질량: 220.04596212

이름 및 식별자

우선 이름: 4-(Trifluoromethoxy)benzamidoxime
IUPAC: N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide
영어명: IACS-10759 intermediate
분자식: C8H7F3N2O2
분자량: 220.15

이름 및 동의어

4-(Trifluoromethoxy)benzamidoximeRefChem:517065624-227-556935-71-8N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamideN-hydroxy-4-(trifluoromethoxy)benzimidamideN-hydroxy-4-(trifluoromethoxy)benzene-1-carboximidamide1219626-37-5MFCD00085175n-hydroxy-4-trifluoromethoxy-benzamidineBenzenecarboximidamide, N-hydroxy-4-(trifluoromethoxy)-(E)-N'-hydroxy-4-(trifluoromethoxy)benzimidamide

이름 더 보기

IACS-10759 intermediateBenzenecarboximidamide, N'-hydroxy-4-(trifluoromethoxy)-, [C(E)]-(E)-N'-hydroxy-4-(trifluoromethoxy)benzimidamide/IACS-10759 intermediate

Maybridge3_0070884-trifluoromethoxybenzamidoximeSCHEMBL2323020SCHEMBL2323023DTXSID40972378XH1108DB-026148(Z)-N-Hydroxy-4-(trifluoromethoxy)benzimidamide

데이터베이스 식별자

CAS: 1570043-14-9、56935-71-8
PubChem CID: 2733309
DTXSID: DTXSID40972378
EC Number: 624-227-5

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 67.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 235

물리화학적 성질

끓는 점: 245 · 245.0±50.0 °C(Predicted)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
산도 계수 (pKa): 14.06 · 14.06±0.50(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.