벤조[f]퀴놀린

벤조[f]퀴놀린 · BENZO[F]QUINOLINE · Benzoquinoline · NSC 9850 · NAPHTHOPYRIDINE · azaphenanthrene · 1-AZAPHENANTHRENE · 5,6-BENZOQUINOLINE

https://huagongshe.com/ko/chemical/6796

식별자 및 물리적 특성

CAS No.	85-02-9
분자식	C13H9N
평균 분자량	179.22 g/mol
단동위원소 질량	179.07349929 g/mol
SMILES	c1ccc2c(c1)ccc1ncccc12
InChIKey	HCAUQPZEWLULFJ-UHFFFAOYSA-N
PubChem CID	6796
ChEMBL	CHEMBL1565107
EC No.	201-582-0
DTXSID	DTXSID2024585
현지명	벤조[f]퀴놀린

화학 및 물리적 성질

XLogP	3.5
극성 표면적	12.9
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	14
형식 전하	0
복잡도	201
물질 분류	Nitrogen Compounds -> Quinolines
SpringerMaterials Properties	Angular frequency
LogP(분배 계수)	3.25
용해도	less than 0.1 mg/mL at 66 °F (NTP, 1992)
인화점	330.8 °F (NTP, 1992)166 °C
끓는 점	662 °F at 721 mmHg (NTP, 1992)349 °C (721 mmHg)
녹는점	199 to 201 °F (NTP, 1992)89-91 °C
증기압	5.5 mmHg at 66 °F (NTP, 1992)0.000056 [mmHg]
Physical Description	Benzo[f]quinoline appears as yellow crystals or white powder. Characteristic irritating odor. (NTP, 1992)Solid[Merck Index] Yellow or white solid with a characteristic irritating odor[CAMEO]
Collision Cross Section	134.7 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID2024585]
밀도	1.1255 (rough estimate)
굴절률	1.7270 (estimate)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	물에 불용성
물리적 상태	수정 같은
pKa(산도 계수)	pK1: 5.00(+1) (25°C)
색상	물이나 석유 에테르로 만든 결정
Merck	14,1105
헨리 상수	5.7×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
EPA	Benzo[f]quinoline (85-02-9)

화학적 성질

BROWN CRYSTALLINE POWDER

안전 및 규제

응급 처치
GHS 분류	DangerH301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified
규제 정보	Chemical: Benzo[f]quinoline
화재 위험	This compound is combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound include severe local damage to the skin and mucous membranes indicated by discoloration, severe irritation, redness, swelling and the formation of blisters and bumps. It may also cause visual disturbances, eye irritation, conjunctivitis, light-sensitivity, tearing and burning sensations. Chronic exposure may cause necrosis and corneal injury.
유해성 요약	Causes severe irritation and local injury to skin and mucous membranesEye contact may cause severe visual disturbances, lachrymation, conjunctivitis, burning sensation, and corneal injury[NTP] An irritant that may cause serious eye injuryToxic by ingestion[Sigma-Aldrich MSDS] See Quinoline and Naphthalene.
반응성 그룹	Amines, Phosphines, and Pyridines
Reactivity Profile	BENZO[F]QUINOLINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides.
Air and Water Reactions	Sensitive to prolonged exposure to air. Insoluble in water.
Hazard Classes and Categories	Acute Tox. 3 (97.5%)Hazardous to the aquatic environment (Acute) - Category 2
소화	Fires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

용도

As a reagent for the determination of cadmium which is pptd as (C13H9N)2H2(CdI4) from dil nitric or sulfuric acid solution in the presence of potassium iodide.

일반 설명

Yellow crystals or white powder. Characteristic irritating odor.