2-아미노-2'-플루오로-5-니트로벤조페논

2-Amino-2'-fluoro-5-nitrobenzophenone

HCID 67657CAS 344-80-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F
InChIKey: ZTEHQPVGEHUXHI-UHFFFAOYSA-N
분자식: C13H9FN2O3
평균 분자량: 260.22 g/mol
단동위원소 질량: 260.05972032

이름 및 식별자

우선 이름: 2-Amino-2'-fluoro-5-nitrobenzophenone
IUPAC: (2-amino-5-nitrophenyl)-(2-fluorophenyl)methanone
현지명: 2-아미노-2'-플루오로-5-니트로벤조페논
영어명: 2-Amino-2'-fluoro-5-nitrobenzophenone
분자식: C13H9FN2O3
분자량: 260.22

이름 및 동의어

344-80-92-Amino-2'-fluoro-5-nitrobenzophenone(2-Amino-5-nitrophenyl)(2-fluorophenyl)methanoneEINECS 206-454-8DTXSID70187973RefChem:463300DTXCID30110464206-454-82-AMINO-5-NITRO-2'-FLUOROBENZOPHENONEMFCD009703412-Amino-2-Fluoro-5-NitrobenzophenoneC13H9FN2O3

이름 더 보기

2-아미노-2'-플루오로-5-니트로벤조페논Naphthoic Acid Impurity 342-Amino -5-Nitro-2'-Fluorobenzophenone2-[(2-fluorophenyl)carbonyl]-4-nitroaniline2-Amino-5-nitrophenyl(2-fluorophenyl) ketone2-Amino-2'-fluoro-5-Nitryl-diphenylmethanone2-Amino-5-Nitro-2'-Fluorobenzophenone (FNAB)2-Amino-2′-fluoro-5-nitrobenzophenone, CAS 344-80-9(2-azanyl-5-nitro-phenyl)-(2-fluorophenyl)methanone

(2-amino-5-nitrophenyl)-(2-fluorophenyl)methanone2-amino-5-nitro-2'-fluoro-benzophenone2-Amino-5-nitro-2''-fluorobenzophenone53960-29-5Benzophenone, 2-amino-2'-fluoro-5-nitro2-Amino-5-Nitro -2'-Fluoro BenzophenoneMethanone, (2-amino-5-nitrophenyl)(2-fluorophenyl)-A822252

데이터베이스 식별자

CAS: 344-80-9
PubChem CID: 67657
DTXSID: DTXSID70187973
EC Number: 206-454-8
Nikkaji: J193.793F

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 88.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 358

실험 및 물리화학적 성질

Kovats Retention Index · 2건

2401；2344；2363；2363

2335

물리화학적 성질

녹는점: 158 · 158-160°C
끓는 점: 485.6 · 485.6±45.0 °C(Predicted)
밀도: 1.399 · 1.399±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 2 mg/ml; · DMF: 2 mg/ml; DMSO: 1 mg/ml
물리적 상태: 결정성 고체
산도 계수 (pKa): -3.19 · -3.19±0.36(Predicted)
InChI: InChI=1S/C13H9FN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2
InChIKey: ZTEHQPVGEHUXHI-UHFFFAOYSA-N
SMILES: C(C1=CC([N+]([O-])=O)=CC=C1N)(C1=CC=CC=C1F)=O

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.