ベンゾ[f]キノリン

ベンゾ[f]キノリン · ナフトピリジン · β-ナフトキノリン · 5,6-ベンゾキノリン · ベンゾ（ｆ）キノリン · 5,6-ベンゾキノリン標準品 · 1-アザフェナントレン · 5,6‐ベンゾキノリン標準品

識別子と物理属性

CAS No.	85-02-9
分子式	C13H9N
平均分子量	179.22 g/mol
単同位体質量	179.07349929 g/mol
SMILES	c1ccc2c(c1)ccc1ncccc12
InChIKey	HCAUQPZEWLULFJ-UHFFFAOYSA-N
PubChem CID	6796
ChEMBL	CHEMBL1565107
EC No.	201-582-0
DTXSID	DTXSID2024585
現地名	ベンゾ[f]キノリン

化学・物理的性質

XLogP	3.5
極性表面積	12.9
水素結合供与体数	0
水素結合受容体数	1
回転可能結合数	0
重原子数	14
形式電荷	0
複雑度	201
物質分類	Nitrogen Compounds -> Quinolines
SpringerMaterials Properties	Angular frequency
LogP（分配係数）	3.25
溶解度	less than 0.1 mg/mL at 66 °F (NTP, 1992)Insoluble in water
引火点	330.8 °F (NTP, 1992)166 °C
沸点	662 °F at 721 mmHg (NTP, 1992)349 °C (721 mmHg)
融点	199 to 201 °F (NTP, 1992)89-91 °C
蒸気圧	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]
密度	1.1255 (rough estimate)
屈折率	1.7270 (estimate)
貯蔵条件	Keep in dark place,Sealed in dry,Room Temperature
外観・状態	結晶性
pKa（酸解離定数）	pK1: 5.00(+1) (25°C)
色	H2Oまたはペットエーテルからのリーフレット
Merck	14,1105
ヘンリー定数	5.7×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
CAS データベース	85-02-9(CAS DataBase Reference)
EPAの化学物質情報	Benzo[f]quinoline (85-02-9)

化学的特性

BROWN CRYSTALLINE POWDER

安全性と法規制

応急処置
GHS 分類	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
規制情報	Chemical: Benzo[f]quinoline
火災危険	This compound is combustible. (NTP, 1992)
健康有害性	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.
有害性の概要	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.
反応性グループ	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
消火	Fires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

用途

カドミウムイオンの沈殿定量用試薬

使用

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.

一般的な説明

Yellow crystals or white powder. Characteristic irritating odor.

製法・合成法

純化方法

Purify as 3,4-benzoquinoline above. The picrate has m 258.1-259o (from EtOH or H2O). [Albert et al. J Chem Soc 2240 1948, Beilstein 20 III/IV 4009, 20/8 V 220.]