1-Bromo-4-fluoro-2-nitrobenzene

HCID 2773383CAS 446-09-3

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(F)ccc1Br
InChIKey: XRXNWKIKQFEOGO-UHFFFAOYSA-N
분자식: C6H3BrFNO2
평균 분자량: 220 g/mol
단동위원소 질량: 218.93311866

이름 및 식별자

우선 이름: 1-Bromo-4-fluoro-2-nitrobenzene
IUPAC: 1-bromo-4-fluoro-2-nitrobenzene
영어명: 1-BROMO-4-FLUORO-2-NITROBENZENE
분자식: C6H3BrFNO2
분자량: 220

이름 및 동의어

1-Bromo-4-fluoro-2-nitrobenzene446-09-3EINECS 207-160-2DTXSID20196232XRXNWKIKQFEOGO-UHFFFAOYSA-RefChem:75128DTXCID30118723207-160-2InChI=1/C6H3BrFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H2-Bromo-5-fluoronitrobenzenebenzene, 1-bromo-4-fluoro-2-nitro-MFCD00055530

이름 더 보기

2-BroMo-5-fluo2-Bromo-5-fluoronitribenzene2-Bromo-5-fluoroanitrobenzene1-BroMo-4-Fluoro-2-nitrobenzebe2-Bromo-5-fluoronitrobenzene98%2-Bromo-5-fluoronitrobenzene 98%2-BroMo-5-fluoronitrobenzene, 97+%

2-bromo-5-fluoro-nitrobenzene1-Bromo-2-nitro-4-fluorobenzeneZ74RSL9YDYSCHEMBL229248CS-W002267BP-101941-bromo-4-fluoro-2-nitro-benzene2-Bromo-5-fluoro

데이터베이스 식별자

CAS: 446-09-3
PubChem CID: 2773383
DTXSID: DTXSID20196232
UNII: Z74RSL9YDY
EC Number: 207-160-2
Nikkaji: J196.139J

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

물리화학적 성질

녹는점: 37 · 37-39°C
끓는 점: 148 · 148-150°C 35mm
밀도: 1.808 · 1.808±0.06 g/cm3(Predicted)
인화점: 148 · 148-150°C/35mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow to Green
BRN: 2364227 · 2364227
InChI: InChI=1S/C6H3BrFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
InChIKey: XRXNWKIKQFEOGO-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(F)C=C1[N+]([O-])=O

화학적 성질

light yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (85.7%)

안전 데이터

ridadr: UN2811
HS 번호: 29049090
risk_code: 20/21/22-36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36/37
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도1-Bromo-4-fluoro-2-nitrobenzene serves as a reference for the analogous preparation of 2-bromo-4-fluoro-1-nitrobenzene[4]. The compound acts as a precursor in the synthesis of indole derivatives, including 7-bromo-4-fluoroindole, 4-fluoro-1H-indole-7-carbonitrile, and para-substituted precursors via linear pathways[4][5][8]. Furthermore, It functions as a reagent in coupling reactions with thiosalicylic acid or 5-chloro-2-aminobenzoic acid derivatives to produce substituted benzamides and benzoic acids[6][7].

상·하류 제품 정보

상류 원료

4-플루오로-2-니트로아세타닐라이드 2-Bromo-3-fluoronitrobenzene 4-플루오로-2-니트로벤조산 디플로로니트로벤젠(2,5-)4-플루오로아세트아닐리드 4-플로로아닐린 4-플루오로-2-니트로아닐린 디플로로벤젠(1,4-)플로로니트로벤젠 4-브로모플로르벤젠

하류 제품

2-Bromo-5-fluoroaniline 4-bromo-2,6-dinitrophenol 4-Methoxy-2-nitrobenzoic acid 4-브로모-1-플루오로-2-니트로벤젠 7-BROMO-4-FLUOROINDOLINE 1H-Indole, 4-fluoro-1-[tris(1-methylethyl)silyl]-

공급사50 곳

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