1-브로모-2,4-디플루오로-5-니트로벤젠

1-Bromo-2,4-difluoro-5-nitrobenzene

HCID 223078CAS 345-24-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(Br)c(F)cc1F
InChIKey: OOUUWURPSUSDTD-UHFFFAOYSA-N
분자식: C6H2BrF2NO2
평균 분자량: 237.99 g/mol
단동위원소 질량: 236.92369684

이름 및 식별자

우선 이름: 1-Bromo-2,4-difluoro-5-nitrobenzene
IUPAC: 1-bromo-2,4-difluoro-5-nitrobenzene
현지명: 1-브로모-2,4-디플루오로-5-니트로벤젠
영어명: 1-Bromo-2,4-difluoro-5-nitrobenzene
분자식: C6H2BrF2NO2
분자량: 237.99

이름 및 동의어

345-24-41-bromo-2,4-difluoro-5-nitrobenzeneDTXSID30278831RefChem:75042DTXCID10229987675-203-65-Bromo-2,4-difluoronitrobenzeneBenzene, 1-bromo-2,4-difluoro-5-nitro-MFCD001291662,4-Difluoro-5-nitrobroMobenzeneNSC102385-bromo-2,4-difluoro-1-nitrobenzene

이름 더 보기

1-브로모-2,4-디플루오로-5-니트로벤젠AURORA KA-7912BUTTPARK 89\07-60MCH-1 antagonist 24-DIFLUORO-5-NITROBENZENE2,4-Difluoro-5-BroMonitrobenzene5-Bromo-2,4-difluoronitrobenzene 98%

SCHEMBL73351-bromo-2,4-difluoro-5-nitro-benzeneBenzene, 1-?bromo-?2,?4-?difluoro-?5-?nitro-7X-0836FT-0631992SCHEMBL29663529NSC-10238SBB054202

데이터베이스 식별자

CAS: 345-24-4
PubChem CID: 223078
DTXSID: DTXSID30278831
EC Number: 675-203-6

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 187

물리화학적 성질

녹는점: 19 °C · 19°C(lit.)
끓는 점: 85 °C · 85°C 0,4mm
밀도: 1.89 · 1.890±0.06 g/cm3(Predicted)
굴절률: 1.558 to · 1.5580 to 1.5620
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
InChI: InChI=1S/C6H2BrF2NO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H
InChIKey: OOUUWURPSUSDTD-UHFFFAOYSA-N
SMILES: C1(Br)=CC([N+]([O-])=O)=C(F)C=C1F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 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 (25%)

안전 데이터

wgk: WGK 3
HS 번호: 2904990090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도1-Bromo-2,4-difluoro-5-nitrobenzene is a nitrobenzene derivative containing fluorine and bromine atom substituents. It can be used as a pharmaceutical intermediate for the preparation of novel N2-phenylpyrimidine-2,4-diamine compounds showing effective inhibition of EGFR mutations, and thus can be effectively used in the treatment of EGFR-mutated cancers.