5-플루오로-2-니트로벤자데하이드

5-Fluoro-2-nitrobenzaldehyde

HCID 587090CAS 395-81-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1cc(F)ccc1[N+](=O)[O-]
InChIKey: KKAFVHUJZPVWND-UHFFFAOYSA-N
분자식: C7H4FNO3
평균 분자량: 169.11 g/mol
단동위원소 질량: 169.01752121

이름 및 식별자

우선 이름: 5-Fluoro-2-nitrobenzaldehyde
IUPAC: 5-fluoro-2-nitrobenzaldehyde
현지명: 5-플루오로-2-니트로벤자데하이드
영어명: 5-Fluoro-2-nitrobenzadehyde
분자식: C7H4FNO3
분자량: 169.11

이름 및 동의어

5-Fluoro-2-nitrobenzaldehyde395-81-32-nitro-5-fluorobenzaldehydeBenzaldehyde, 5-fluoro-2-nitro-4XLZ3PX3W93-fluoro-6-nitrobenzaldehydeEINECS 206-903-8KKAFVHUJZPVWND-UHFFFAOYSA-DTXSID90192645RefChem:102634DTXCID30115136206-903-8

이름 더 보기

5-플루오로-2-니트로벤자데하이드KML-73KML-105uoro-2-nitrobenzaL5-Fluoro-2-nitrobenzladehyde4-Fluoro-2-formylnitrobenzene4-Chloro-5'-fluorobenzophenone5-Fluoro-2-nitrobenzaldehyde>

InChI=1/C7H4FNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4HKKAFVHUJZPVWND-UHFFFAOYSA-N5-Fluoro-2-nitrobenzadehydeMFCD001531755-Fluoro-2-nitro-benzaldehydeUNII-4XLZ3PX3W9CL83745-Fluoro-2-nitrobenzaldehyde, AldrichCPR

데이터베이스 식별자

CAS: 395-81-3
PubChem CID: 587090
DTXSID: DTXSID90192645
UNII: 4XLZ3PX3W9
EC Number: 206-903-8
Nikkaji: J213.636H

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 62.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 192

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 92 · 92-94°C
끓는 점: 153 °C · 153°C 23mm
밀도: 1.443 · 1.443±0.06 g/cm3(Predicted)
인화점: 110 °C · >110°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
수용성: 물에 불용성
물리적 상태: powder to crystal
색상: White to Light red to Green
BRN: 1869010 · 1869010
InChI: InChI=1S/C7H4FNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
InChIKey: KKAFVHUJZPVWND-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(F)=CC=C1[N+]([O-])=O

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 10 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 (100%)

안전 데이터

HS 번호: 29124990
risk_code: 36/37/38
hazard_code: Xi,Xn
safety_code: 26-36-37
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도5-Fluoro-2-nitrobenzaldehyde can be used as an intermediate in pharmaceutical chemistry and organic synthesis, and is used to prepare herbicides, plant growth regulators, etc.