2-플루오로-3-니트로아니솔

2-Fluoro-4-nitroanisole

HCID 223104CAS 455-93-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc([N+](=O)[O-])cc1F
InChIKey: XGMVTXUXZUPGGY-UHFFFAOYSA-N
분자식: C7H6FNO3
평균 분자량: 171.13 g/mol
단동위원소 질량: 171.03317127

이름 및 식별자

우선 이름: 2-Fluoro-4-nitroanisole
IUPAC: 2-fluoro-1-methoxy-4-nitrobenzene
현지명: 2-플루오로-3-니트로아니솔
영어명: 2-Fluoro-4-nitroanisole
분자식: C7H6FNO3
분자량: 171.13

이름 및 동의어

2-Fluoro-4-nitroanisoleDTXSID90278852RefChem:472396DTXCID60230008610-263-9455-93-62-Fluoro-1-methoxy-4-nitrobenzeneBENZENE, 2-FLUORO-1-METHOXY-4-NITRO-MFCD000610952-fluoro-4-nitroanisol4-nitro-2-fluoroanisolNSC10335

이름 더 보기

2-플루오로-3-니트로아니솔2-플루오로-4-나이트로아니솔2-Fluoro-4-nitroanisFluoro-4-nitroanisole2-Fluoro-4-nitroanisole>2-Fluoride-4-Nitro Anisole2-Fluoro-4-nitroanisole98%2-Fluoro-4-nitroanisole 98%2-Fluoro-4-nitro-methoxybenzene2-Methoxy-5-nitro-1-fluorobenzene

2-fluoro-1-methoxy-4-nitro-benzeneSCHEMBL2966812-Fluoro-4-nitroanisole, 98%Nitrobenzene, 3-fluoro-4-methoxy-NSC-10335AC-3804SY021115CS-0007667

데이터베이스 식별자

CAS: 455-93-6
PubChem CID: 223104
DTXSID: DTXSID90278852
EC Number: 610-263-9
Nikkaji: J359.872A

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 103 · 103-105 °C (lit.)
끓는 점: 277.2 · 277.2±20.0 °C(Predicted)
밀도: 1.321 · 1.321±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 톨루엔에 용해됨
물리적 상태: 결정성 분말
색상: 흰색에서 밝은 노란색
InChI: 1S/C7H6FNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3
InChIKey: XGMVTXUXZUPGGY-UHFFFAOYSA-N
SMILES: COc1ccc(cc1F)[N+]([O-])=O

화학적 성질

White to light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (91.3%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (91.3%)

안전 데이터

wgk: 3
HS 번호: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Fluoro-4-nitroanisole was employed as alternative biochemical photoprobe for proteins.

일반 설명2-Fluoro-4-nitroanisole is a 2-halo-4-nitroanisole and its photoreaction with the nucleophiles hydroxide ion and pyridine has been investigated. Mechanism of photoreaction of 2-fluoro-4-nitroanisole with n-hexylamine has been investigated.