1-플루오르-2,4-디니트로벤젠

1-플루오르-2,4-디니트로벤젠 · DNF · DNFB · 1-FLUORO-2,4-DINITROBENZENE · DNPF · 4-fluoro-1,2-dinitrobenzene · FDNB · SANGER'S REAGENT

https://huagongshe.com/ko/chemical/6264

식별자 및 물리적 특성

CAS No.	70-34-8
분자식	C6H3FN2O4
평균 분자량	186.1 g/mol
단동위원소 질량	186.0076848 g/mol
SMILES	O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1
InChIKey	LOTKRQAVGJMPNV-UHFFFAOYSA-N
PubChem CID	6264
ChEMBL	CHEMBL167423
ChEBI	CHEBI:53049
EC No.	200-734-3
DTXSID	DTXSID8025331
현지명	1-플루오르-2,4-디니트로벤젠

화학 및 물리적 성질

XLogP	1.6
극성 표면적	91.6
수소 결합 공여자 수	0
수소 결합 수용자 수	5
회전 가능 결합 수	0
무거운 원자 수	13
형식 전하	0
복잡도	224
물질 분류	Nitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties	Chemical shift
밀도	1.482 at 68 °F (NTP, 1992) - Denser than waterwill sinkDensity: 1.4718 g/cu cm at 54 °C1.482 g/mL at 25 °C (lit.)
Color/Form	Pale yellow crystals from ether
용해도	0.1 to 1.0 mg/mL at 67.5 °F (NTP, 1992)Soluble in benzene, ether, propylene glycolSoluble in ethanolslightly soluble in chloroformIn water, 400 mg/L at 25 °C클로로포름: 0.1 g/mL, 투명
인화점	greater than 235 °F (NTP, 1992)Flash point > 113 °C>230 °F
끓는 점	565 °F at 760 mmHg352 °F at 25 mmHg271 °F at 2 mmHg (NTP, 1992)296 °C178 °C/25 mmHg (lit.)
Decomposition	When heated to decomposition it emits toxic fumes of /nitrogen oxides/ & /fluorine/.
녹는점	81.5 to 86.0 °F (NTP, 1992)25.8 °C25-27 °C (lit.)
증기압	0.0024 [mmHg]
굴절률	Index of refraction: 1.5690 at 20 °Cn20/D 1.569(lit.)
Physical Description	2,4-dinitrofluorobenzene appears as clear yellow crystals or yellow crystalline solid. (NTP, 1992)Pale yellow solid[Merck Index] Yellow low melting crystalline solidmp = 23-26 deg C[MSDSonline]
저장 조건	2-8°C
물리적 상태	액체 또는 저융점 결정
비중	1.482
색상	노란색에서 갈색을 띤다
용해도	400mg/L(25℃)
Merck	14,4172
BRN	398632
헨리 상수	1.0×102 mol/(m3Pa) at 25℃, HSDB (2015)
안정성	안정적인. 타기 쉬운. 강한 산화제, 강한 염기와 호환되지 않습니다.
InChI	1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChIKey	LOTKRQAVGJMPNV-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1ccc(F)c(c1)[N+]([O-])=O
NIST	Benzene, 1-fluoro-2,4-dinitro-(70-34-8)
EPA	2,4-Dinitrofluorobenzene (70-34-8)

화학적 성질

Yellow solid

안전 및 규제

GHS 분류	DangerH301 (12%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]
규제 정보	Chemical: Benzene, 1-fluoro-2,4-dinitro-1-Fluoro-2,4-dinitrobenzene: Does not have an individual approval but may be used under an appropriate group standard
운송 라벨(DOT)	Poison
화재 위험	This chemical is probably combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound may include irritation to the eyes, skin and mucous membranes.
유해성 요약	A mutagen and sensitizer[RTECS] Emergency treatment: Methemoglobinemia[HSDB] A strong irritant and vesicant[HSDB] A skin, eye, and mucous membrane irritantThis chemical is highly toxic, a powerful irritant, and causes blistering. It caused allergic reactions and dermatitis by skin contact or inhalation. It can be absorbed through the skin. [CAMEO] A powerful irritant and vesicantMay be absorbed through skinMay cause skin and respiratory sensitization after prolonged contact[MSDSonline]
반응성 그룹	Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Special Reports	REVIEW WITH 19 REFERENCES. DNFB IS WIDELY USED IN BIOCHEM RESEARCH & TEACHING FOR CHARACTERIZATION OF AMINES, ESP AMINO ACIDS, & FOR EXPTL IMMUNIZATION. EXPTL OBSERVATIONS & CLINICAL REPORTS ARE REVIEWED & FACTORS INFLUENCING (HUMAN) SENSITIZATION ARE DISCUSSED. RECOMMENDATIONS ARE GIVEN FOR PROPER USE OF PROTECTIVE GLOVES & AVOIDANCE OF SPRAY INHALATION.[THOMPSON JSEDMONDS OP

용도

A substituted benzene use in polypeptide sequencing (also referred to as Sanger’s reagent). Used in the derivitization of primary amines. Shown to inhibit the reductase activity of mitochondrial b-c1 complex isolated from beef heart mitochondria.

일반 설명

Clear yellow crystals or yellow crystalline solid.