4-플루오로-3-니트로아닐린

4-Fluoro-3-nitroaniline

HCID 67768CAS 364-76-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Nc1ccc(F)c([N+](=O)[O-])c1
InChIKey
LLIOADBCFIXIEU-UHFFFAOYSA-N
분자식
C6H5FN2O2
평균 분자량
156.11 g/mol
단동위원소 질량
156.03350562

개요

4-fluoro-3-nitroaniline is a nitroaniline and an organofluorine compound.

이름 및 식별자

우선 이름
4-Fluoro-3-nitroaniline
IUPAC
4-fluoro-3-nitroaniline
현지명
4-플루오로-3-니트로아닐린
영어명
4-Fluoro-3-nitroaniline
분자식
C6H5FN2O2
분자량
156.11

이름 및 동의어

4-Fluoro-3-nitroaniline364-76-13-Nitro-4-fluoroaniline4-Fluoro-3-nitrobenzenamineBenzenamine, 4-fluoro-3-nitro-DTXSID5052042R8DY9W4LRVNSC-10293DTXCID6030609CHEBI:48642RefChem:523234206-665-5
이름 더 보기
4-플루오로-3-니트로아닐린4-플루오로-3-나이트로아닐린5-AMINO-2-FLUORONITROBENZENE4-F-3NAuoro-3-nitroaniL4-Fluoro-3-nitroanil4-Fluor-3-nitroanilin4-fluoro-3-nitro-anilin4-Fluoro-3-phenylnitramine
4-Fluoro-3-nitro-anilineAniline, 4-fluoro-3-nitro-C6H5FN2O2MFCD000078333-nitro-4-fluoro aniline4-fluoro-3-nitro aniline4-fluoro-3-nitrophenylamineNSC 10293

데이터베이스 식별자

CAS
364-76-1
PubChem CID
67768
DTXSID
DTXSID5052042
ChEBI
CHEBI:48642
UNII
R8DY9W4LRV
EC Number
206-665-5
Nikkaji
J60.428C

물성

구조 계산 물성

XLogP
0.8
극성 표면적
71.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitroanilines
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionYellow or gold powder; [Alfa Aesar MSDS]
Ionization Efficiency · 6건

Positive

3.65

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

물리화학적 성질

녹는점
94 · 94-96 °C (lit.)
끓는 점
331.3 · 331.3±22.0 °C(Predicted)
밀도
0.43 g/cm3 · 0.43 g/cm3 (20℃)
인화점
196 °F · 196 °F
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
물리적 상태
가루

화학적 성질

whitetolightyellowcrystalpowde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (95.9%): 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information4-Fluoro-3-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary · 1건

Causes changes in bladder weight, change in clotting factors, and changes in erythrocyte count in 90-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion; May induce methemoglobinemia; [Alfa Aesar MSDS] See 4-Chloro-2-nitroaniline, 2-Chloro-5-nitroaniline, and 1-Amino-2-chloro-4-nitrobenzene.

Hazard Classes and CategoriesAcute Tox. 4 (95.9%)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Toxicity DataLC50 (rat) > 200,000 mg/m3/1hr

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
BY1700000
ridadr
UN 1325 4.1/PG 2
HS 번호
29214210
risk_code
20/21/22-36/37/38-22

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 4-fluoro-3-nitro-: ACTIVE

응용 분야

용도4-Fluoro-3-nitroaniline is used in the preparation of commercial hair dyes. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北鑫立恒化工有限公司13164644252
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
杭州倍生元生物科技有限公司15700194842 15700194842

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