p-플루오로미트로벤젠
p-Fluoronitrobenzene
기본 정보
- CAS
350-46-9- 표준 SMILES
O=[N+]([O-])c1ccc(F)cc1- InChIKey
WFQDTOYDVUWQMS-UHFFFAOYSA-N- 분자식
- C6H4FNO2
- 평균 분자량
- 141.1 g/mol
- 단동위원소 질량
- 141.02260653
이름 및 식별자
- 우선 이름
- p-Fluoronitrobenzene
- IUPAC
- 1-fluoro-4-nitrobenzene
- 현지명
- p-플루오로미트로벤젠
- 영어명
- 4-Fluoronitrobenzene
- 분자식
- C6H4FNO2
- 분자량
- 141.1
이름 및 동의어
p-FluoronitrobenzeneRefChem:4328404-Fluoronitrobenzene1-FLUORO-4-NITROBENZENE350-46-9p-Nitrofluorobenzene4-NitrofluorobenzeneBenzene, 1-fluoro-4-nitro-4-Fluoro-1-nitrobenzene1-Nitro-4-fluorobenzene178603-76-41-Fluoro-4-nitro-benzene
이름 더 보기
p-플루오로미트로벤젠1-플루오르-4-니트로벤젠1-플루오로-4-나이트로벤젠4-FluornitrobenzolFluoro-4-nitrobenzFluoronitrobenzene3p-fluoromitrobenzene
MFCD000072824-nitro-1-fluorobenzeneNSC 10281para-fluoronitrobenzene1,4-FluoronitrobenzeneBenzene, 1-fluoro-4-nitro-, labeled with carbon-14 (9CI)A2M2FH7XHHNSC-10281
데이터베이스 식별자
- CAS
350-46-9- PubChem CID
- 9590
- DTXSID
DTXSID9022025- ChEMBL
CHEMBL163729- UNII
- A2M2FH7XHH
- EC Number
- 206-502-8
- Nikkaji
- J47.809A
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 45.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 126
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.89
Density1.3300 @ 20 °C/4 °C
Color/FormYELLOW NEEDLES
SolubilitySOL IN ALCOHOL, ETHER; INSOL IN WATER
Boiling Point206-207 °C
Melting Point27 °C
Vapor Pressure0.29 [mmHg]
Refractive IndexMAX ABSORPTION (ALCOHOL): 212 NM (LOG E= 4.0); 263 NM (LOG E= 3.9); INDEX OF REFRACTION: 1.5316 @ 20 °C/D
Physical DescriptionYellow solid; [HSDB] Liquid or low melting solid; mp = 22-24 deg C; [MSDSonline]
Other Experimental PropertiesUV: 9648 (Sadtler Research Laboratories Spectral Collection) /Benzene, 1-fluoro-3-nitro/
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1% (1 of 102) of reports.
Danger
H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 102 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzene, 1-fluoro-4-nitro-
REACH registered substance: 1-fluoro-4-nitrobenzene (EC: 206-502-8)
1-Fluoro-4-nitrobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] An irritant; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (88.2%)
독성 정보
Ecotoxicity ValuesLC50 Pimephales promelas (fathead minnow) 28.4 mg/l 96 hr flow-through bioassay, wt 0.12 g, water hardness 45.5 mg/l CaCO3, temp: 25 +/- 1 °C, pH 7.5, dissolved oxygen greater than 60% of saturation
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Toxicity DataLC50 (rat) = 2,600 mg/m3/4h
화학 및 산업
약리 정보
Metabolism/MetabolitesYIELDS N-ACETYL-S-(P-NITROPHENYL)-L-CYSTEINE, P-FLUOROANILINE & P-NITROPHENOL IN RABBITS: BRAY & JAMES, BIOCHEM J 66: 45 (1957); BRAY ET AL, BIOCHEM J 68: 561 (1958). /FROM TABLE/
용도 및 제조
Uses
Used as a component in hair dyes; [HSDB]
Dressing Hair [Category: Other]
A COMPONENT OF HAIR DYES
General Manufacturing InformationBenzene, 1-fluoro-4-nitro-: ACTIVE
응용 분야
용도1-Fluoro-4-nitrobenzene used as a component of hair dyes, as pharmaceutical intermediates. It is also used for the preparation of novel soluble aromatic polyimides
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
1,528건
화합물 노트
불러오는 중…